SCHEMBL3925565

SCHEMBL3925565

OCC1(c2ccccc2)N=NN=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM1A O60341 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL27383804 0.76 GAA (0.41) GAARAB9ASMN1; SMN2MAPTTSHR
SCHEMBL5285392 0.76 TSHR (0.37) GAAMAPTTSHRLMNATDP1
SCHEMBL2233425 0.76 MAOA (0.32) MAOAMAOBTAAR1P2RX1P2RX3
SCHEMBL5291028 0.76 PKM (0.47) GAARAB9ASMN1; SMN2MAPTTSHR
SCHEMBL3938866 0.76 OPRM1 (0.37) GAARAB9ASMN1; SMN2MAPTTSHR
SCHEMBL3937471 0.76
SCHEMBL5282094 0.74 OPRL1 (0.42) TSHRMAOAMAOBOPRM1OPRL1
SCHEMBL10769337 0.74 PKM (0.31) PKMKMT2A
SCHEMBL5275530 0.73 KDM4E (0.35) GAATSHRMAOAMAOBTDP1
SCHEMBL27476300 0.73 TRPA1 (0.37) TSHRMAOAMAOBTAAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed