SCHEMBL23601159

SCHEMBL23601159

Cc1cccc(-c2ccc(C34CC(C3)C4)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
MAP4K4 O95819 1/20 0.38
WNT3A P56704 1/20 0.37
PGR P06401 1/20 0.37
NISCH Q9Y2I1 2/20 0.36
F2R P25116 2/20 0.36
ENPP3 O14638 1/20 0.36
GRIN2B Q13224 1/20 0.36
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GRM2 Q14416 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL24721362 0.82 RXRA (0.40) MAP4K4F2R
SCHEMBL23600941 0.76 CCR1 (0.41) IDO1METAP2KDM4E
SCHEMBL23601158 0.75 KDM1A (0.52) KDM1AIDO1METAP2KDM4E
SCHEMBL23601692 0.74 AR (0.39) KDM1ACHRNB4CHRNA3MAP4K4WNT3A
SCHEMBL23601698 0.72 CHRNB4 (0.38) CHRNB4CHRNA3MAP4K4WNT3A
SCHEMBL2757248 0.72 MAP4K4 (0.46) MAP4K4WNT3AENPP3IDO1METAP2
SCHEMBL4404645 0.72 HSD17B1 (0.55) KDM1AMAP4K4ENPP3IDO1METAP2
SCHEMBL23601916 0.71 NOTUM (0.44) KDM1AMAP4K4ENPP3GRIN2BIDO1
SCHEMBL13680468 0.69 GRIN1 (0.53) MAP4K4ENPP3GRIN2BIDO1METAP2
SCHEMBL4406991 0.69 HSD17B1 (0.51) KDM1AMAP4K4ENPP3IDO1METAP2

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed