SCHEMBL29354643

SCHEMBL29354643

CN1N=C(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPER1 Q99527 2/20 0.51
ABL1 P00519 5/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
RIPK1 Q13546 1/20 0.38
OGA O60502 1/20 0.37
GRM4 Q14833 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL21394793 1.00 GPER1 (0.51) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL21394805 0.93 ABL1 (0.44) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL29358195 0.93 ABL1 (0.44) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL29353818 0.89 ABL1 (0.57) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL21394850 0.89 ABL1 (0.57) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL21395007 0.87 RAB9A (0.59) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL21394882 0.85 SCD (0.52) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL29353798 0.85 SCD (0.52) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL21394797 0.85 SCD (0.49) GPER1ABL1RAB9AALDH1A1LMNA
SCHEMBL21394530 0.84 SCD (0.51) GPER1ABL1RAB9AALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed