SCHEMBL9544703

SCHEMBL9544703

C(=CC1CCCN1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
KHK P50053 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
F2R P25116 2/20 0.38
MAPK1 P28482 2/20 0.37
IKBKB O14920 1/20 0.37
RAF1 P04049 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
KDR P35968 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PRKAG1 P54619 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PRDX1 Q06830 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
SCHEMBL9544699 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL23064604 0.76 KHK (0.48) KHK
SCHEMBL5530870 0.76 KHK (0.48) KHK
SCHEMBL23064603 0.76 KHK (0.48) KHK
SCHEMBL20015501 0.73 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6817072 0.73 KHK (0.34) KHK
SCHEMBL6817075 0.73 KHK (0.34) KHK
SCHEMBL6817073 0.73 KHK (0.34) KHK
SCHEMBL6817074 0.73 KHK (0.34) KHK
SCHEMBL2212533 0.72 CHRNB2 (0.50) NPC1RAB9AMEN1KMT2AKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed