SCHEMBL23629067

SCHEMBL23629067

O=C(O)c1cc2ccccc2nc1NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ACP1 P24666 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
CSNK2A1 P68400 6/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
SYK P43405 2/20 0.43
MERTK Q12866 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
IKBKB O14920 1/20 0.42
PTPN1 P18031 1/20 0.41
LCK P06239 1/20 0.41
GPR6 P46095 1/20 0.41

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
SCHEMBL17241734 0.94 SYK (0.47) POLBACP1RAB9AKMT2ACSNK2A1
SCHEMBL7609220 0.79 RAB9A (0.45) POLBNPC1RAB9AKMT2AIKBKB
SCHEMBL28962064 0.76 ACP1 (0.54) ACP1KMT2ATLR7LCK
SCHEMBL7541257 0.76 PTPN1 (0.62) NPC1RAB9AKMT2AIKBKBPTPN1
SCHEMBL4484697 0.73 HPGDS (0.54) POLBNPC1RAB9AKMT2ASYK
SCHEMBL10468175 0.73 ROCK2 (0.48) KMT2ACSNK2A1CSNK2A2CSNK2BSYK
SCHEMBL27492651 0.72 KDM4E (0.56) NPC1RAB9A
SCHEMBL11717624 0.72 LCK (0.49) CSNK2A1CSNK2A2CSNK2BLCK
SCHEMBL8807038 0.72 SMN1; SMN2 (0.56) NPC1RAB9AKMT2AIKBKBPTPN1
SCHEMBL10467341 0.72 CSNK2A1 (0.36) CSNK2A1CSNK2A2CSNK2BSYKMERTK

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
EP-3846800-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 C4 Therapeutics, Inc. (US) 2021-07-14 EP disclosed