SCHEMBL3380253

SCHEMBL3380253

NC(=O)N1CCCCC1.O=C(O)c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
RAB9A P51151 1/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 7/20 0.56
ATM Q13315 1/20 0.56
GFER P55789 1/20 0.53
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
THPO P40225 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
PMP22 Q01453 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8307403 0.88 ALDH1A1 (0.55) POLBRAB9AKMT2AALDH1A1ATM
SCHEMBL289605 0.82 POLB (0.74) POLBRAB9AKMT2AALDH1A1GFER
SCHEMBL3849918 0.80 POLB (1.00) POLBRAB9AKMT2AALDH1A1KDM4E
Hydrazine SCHEMBL27559974 0.80 ALDH1A1 (0.72) RAB9AKMT2AALDH1A1ATMGPR84
SCHEMBL64182 0.80 GPR84 (0.77) RAB9AKMT2AALDH1A1ATMGPR84
SCHEMBL29272694 0.78 GPR84 (0.74) RAB9AKMT2AALDH1A1ATMGPR84
SCHEMBL27837528 0.78 GPR84 (0.74) RAB9AKMT2AALDH1A1ATMGPR84
Hydrochloric Acid SCHEMBL7437913 0.78 GPR84 (0.74) RAB9AKMT2AALDH1A1ATMGPR84
Ammonia Solution, Strong SCHEMBL27380523 0.78 GPR84 (0.74) RAB9AKMT2AALDH1A1ATMGPR84
Hydrochloric Acid SCHEMBL29435427 0.78 GPR84 (0.74) RAB9AKMT2AALDH1A1ATMGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931680-B1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
WO-2002094842-A2 CONTROL OF MYOGENESIS BY MODULATION OF P38 MAP KINASE ACTIVITY UNIVERSITY OF WESTERN ONTARIO (CA) 2002-11-28 WO disclosed