SCHEMBL25009544

SCHEMBL25009544

COCC(C)Oc1nc(C)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
DHFR P00374 2/20 0.38
DCPS Q96C86 2/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GRM5 P41594 2/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
ABL1 P00519 2/20 0.32
KDM4E B2RXH2 3/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL30271340 0.83 MCHR1 (0.43) MCHR1DHFRDCPSALDH1A1SMN1; SMN2
SCHEMBL25010689 0.83 MCHR1 (0.43) MCHR1DHFRDCPSALDH1A1SMN1; SMN2
SCHEMBL25001112 0.83 CYP1A2 (0.38) MCHR1DHFRDCPSCDK1CDK2
SCHEMBL25010693 0.83 MCHR1 (0.43) MCHR1DHFRDCPSALDH1A1SMN1; SMN2
SCHEMBL21585395 0.77 KMT2A (0.41) SMN1; SMN2GRM5CDK1CDK2KDM4E
SCHEMBL29210853 0.77 CTSB (0.43) MCHR1ALDH1A1SMN1; SMN2CDK1CDK2
SCHEMBL29210854 0.77 CTSB (0.43) MCHR1ALDH1A1SMN1; SMN2CDK1CDK2
SCHEMBL19121798 0.73 MEN1 (0.49) ALDH1A1SMN1; SMN2NPSR1CDK1CDK2
SCHEMBL21585390 0.72 LPAR1 (0.36) KMT2A
SCHEMBL25742983 0.71 CCR1 (0.31) KDM4EUSP2HPGDHSD17B10KMT2A

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-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed