SCHEMBL11241844

SCHEMBL11241844

Cc1nn(-c2ccc(Cl)cc2)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
MAPT P10636 4/20 0.49
NOTUM Q6P988 2/20 0.49
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
DRD2 P14416 2/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CNR1 P21554 3/20 0.42
GPR55 Q9Y2T6 3/20 0.42
CNR2 P34972 2/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL14117962 0.86 RAB9A (0.59) KDM4EMAPTNOTUMRAB9ANPC1
SCHEMBL28717641 0.83 RAB9A (0.56) KDM4EMAPTNOTUMRAB9ANPC1
SCHEMBL5904824 0.83 RAB9A (0.63) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL11254206 0.81 KDM4E (0.61) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL720561 0.81 NOTUM (0.54) KDM4EMAPTNOTUMRAB9ANPC1
SCHEMBL11261173 0.80 MAPT (0.42) KDM4EMAPTNOTUMRAB9ANPC1
SCHEMBL5001181 0.80 NOTUM (0.52) KDM4EMAPTNOTUMRAB9ANPC1
SCHEMBL10508841 0.79 KDM4E (0.71) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL16202073 0.77 CNR1 (0.47) KDM4EMAPTNOTUMRAB9ANPC1
SCHEMBL16202074 0.77 CNR1 (0.47) KDM4EMAPTNOTUMRAB9ANPC1

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed