SCHEMBL23601916

SCHEMBL23601916

Cc1cccc(-c2ccc(C3CC3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
KDM1A O60341 1/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ENPP3 O14638 1/20 0.42
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
MAP3K5 Q99683 2/20 0.41
MAP4K4 O95819 1/20 0.40
GRIN2B Q13224 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL23601694 0.81 KDM1A (0.50) KDM1AIDO1METAP2CASP3SENP7
SCHEMBL20923972 0.81 HSD17B1 (0.63) NOTUMKDM1AMETAP2
SCHEMBL24721517 0.80 IDO1 (0.46) NOTUMDRD4DRD2IDO1GRIN2B
SCHEMBL20923957 0.80 PDGFRB (0.48) KDM1AMAP4K4
SCHEMBL24721007 0.80 RXRA (0.43) NOTUMIDO1MAP3K5PTGS1PTGS2
SCHEMBL4404645 0.79 HSD17B1 (0.55) KDM1AENPP3IDO1METAP2MAP4K4
SCHEMBL23601705 0.79 KDM1A (0.48) KDM1AIDO1METAP2CASP3SENP7
SCHEMBL5564612 0.77 CLK4 (0.47) KDM1AIDO1MAP4K4
SCHEMBL4406991 0.76 HSD17B1 (0.51) KDM1AENPP3IDO1METAP2MAP4K4
SCHEMBL4402515 0.76 HSD17B1 (0.61) KDM1AENPP3IDO1METAP2MAP4K4

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