SCHEMBL4532908

SCHEMBL4532908

O=C(c1cscn1)c1cscn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
MAP3K5 Q99683 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PIM1 P11309 1/20 0.37
GRM4 Q14833 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GRM1 Q13255 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
FTO Q9C0B1 1/20 0.33
ECE1 P42892 1/20 0.33
PKM P14618 1/20 0.33
CNR2 P34972 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
NAMPT P43490 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2169512 0.82
SCHEMBL31504724 0.80
SCHEMBL248687 0.80
SCHEMBL166576 0.80
SCHEMBL247550 0.80
Hydrochloric Acid SCHEMBL5744190 0.80
Hydrochloric Acid SCHEMBL5008231 0.78 KDM4E (0.59) KDM4EMAP3K5ALDH1A1TSHRPIM1
SCHEMBL13602604 0.78 KDM4E (0.48) KDM4EALDH1A1KDM4AKDM4BKDM5C
SCHEMBL15334613 0.77 KDM4E (0.57) KDM4EMAP3K5ALDH1A1TSHRPIM1
SCHEMBL11167638 0.75 KDM4E (0.61) KDM4EMAP3K5ALDH1A1TSHRPIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923108-A Pyridyl-substituted indole compounds 百时美施贵宝公司 2019-06-21 CN claimed
CN-109761976-A The condensed Azadecalin glucocorticoid receptor modulators of octahydro 科赛普特治疗公司 2019-05-17 CN claimed
CN-106029066-B Octahydro fused azadecalin glucocorticoid receptor modulators 科赛普特治疗公司 2019-03-15 CN claimed
CN-104619328-B The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one 科赛普特治疗学股份有限公司 2018-10-02 CN claimed
CN-106029066-A Octahydro fused azadecalin glucocorticoid receptor modulators 科赛普特治疗公司 2016-10-12 CN claimed
CN-104619328-A Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS INC 2015-05-13 CN claimed
JP-4294903-B2 2009-07-15 JP claimed
JP-2003519135-A 2003-06-17 JP claimed
US-6458787-B1 NOVEL PYRROLIDINE COMPOUNDS THAT ARE POTENT AND SELECTIVE INHIBITORS OF PDE4, AS WELL AS METHODS OF MAKING THE SAME, ARE DISCLOSED. USE OF THE COMPOUNDS IN THE TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED ICOS CORPORATION 2002-10-01 US claimed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP claimed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO claimed
CN-106459083-B Amide derivatives with the active 1- oxa- -4,9- diaza spiro hendecane compound of the anti-pain of multiplex mode 埃斯蒂文制药股份有限公司 2019-10-01 CN disclosed
CN-110177553-A Alkyl Pyrrolopyrimidine is like object and its preparation and application 北卡罗来纳大学教堂山分校 2019-08-27 CN disclosed
CN-109923108-A Pyridyl-substituted indole compounds 百时美施贵宝公司 2019-06-21 CN disclosed
CN-109761976-A The condensed Azadecalin glucocorticoid receptor modulators of octahydro 科赛普特治疗公司 2019-05-17 CN disclosed
CN-1662531-A bicyclic heterocyclic compounds KYOWA HAKKO KOGYO KK (JP) 2005-08-31 CN disclosed
CN-1434813-A Pyrrolidine derivatives cyclic AMP-specific phosphodiesterase inhibitors ICOS CONP (US) 2003-08-06 CN disclosed
US-6458787-B1 NOVEL PYRROLIDINE COMPOUNDS THAT ARE POTENT AND SELECTIVE INHIBITORS OF PDE4, AS WELL AS METHODS OF MAKING THE SAME, ARE DISCLOSED. USE OF THE COMPOUNDS IN THE TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED ICOS CORPORATION 2002-10-01 US disclosed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO disclosed