SCHEMBL5036231

SCHEMBL5036231

CC(=O)NCCc1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.61
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
F13A1 P00488 1/20 0.49
MEP1A Q16819 1/20 0.48
MEP1B Q16820 1/20 0.48
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL2007111 0.86 CNR1 (0.62) CNR1RAB9ALMNAALDH1A1HPGD
SCHEMBL19002541 0.85 MTNR1A (0.62) CNR1RAB9ALMNAHPGDGAA
SCHEMBL19049570 0.85 CNR1 (0.61) CNR1RAB9ALMNAHPGDGAA
SCHEMBL38654611 0.84 ERCC1 (0.59) CNR1LMNAMEP1AMEP1BERCC1
SCHEMBL8645386 0.84 ERCC1 (0.59) CNR1LMNAMEP1AMEP1BERCC1
SCHEMBL19002632 0.84 CNR1 (0.57) CNR1RAB9ALMNAALDH1A1MAPT
SCHEMBL10591303 0.84 KDM4E (0.66) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL12720885 0.82 SPR (0.67) CNR1RAB9AMAPTHPGDGAA
SCHEMBL19002549 0.82 CNR1 (0.55) CNR1RAB9AKDM4ELMNAALDH1A1
SCHEMBL27718551 0.81 CNR1 (0.54) CNR1RAB9AKDM4EGAAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
CN-107922428-A Thienopyrroles compound and its purposes as the inhibitor for piercing shrimp source property luciferase 普洛麦格公司 2018-04-17 CN disclosed
EP-1889903-A1 Biocatalysts with amine acylase activity Novartis AG (CH) 2008-02-20 EP disclosed
EP-0954571-B1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 2007-08-29 EP disclosed
US-6235516-B1 FROM RHODOCOCCUS GLOBERULUS, RHODOCOCCUS EQUI OR ARTHROBACTER AURESCENS NOVARTIS AG (CH) 2001-05-22 US disclosed
EP-0954571-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY Novartis AG (CH) 1999-11-10 EP disclosed
WO-1997041214-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 1997-11-06 WO disclosed