SCHEMBL23601694

SCHEMBL23601694

Cc1cccc(-c2cnc(C3CC3)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
IDO1 P14902 1/20 0.45
METAP2 P50579 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KMO O15229 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ATR Q13535 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
TNF P01375 1/20 0.39
SLC9A1 P19634 1/20 0.38

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
SCHEMBL3422110 0.84 IDO1 (0.58) KDM1ABCHEACHEIDO1METAP2
SCHEMBL24721000 0.81 HSD17B1 (0.41) KDM1AHSD17B1HSD17B2TNF
SCHEMBL23601607 0.81 KDM1A (0.53) KDM1ABCHEACHEIDO1METAP2
SCHEMBL23601916 0.81 NOTUM (0.44) KDM1AIDO1METAP2CASP3SENP7
SCHEMBL20924174 0.79 KDM1A (0.68) KDM1AIDO1METAP2
SCHEMBL23601705 0.79 KDM1A (0.48) KDM1ABCHEACHEIDO1METAP2
SCHEMBL23601162 0.76 CYP11B1 (0.34) KDM1AIDO1TNF
SCHEMBL23601157 0.75 AURKA (0.42) SLC9A1
SCHEMBL16826157 0.75 KDM1A (0.50) KDM1ABCHEACHEIDO1METAP2
SCHEMBL15262893 0.72 PTGS1 (0.35) HSD17B1HSD17B2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271677-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed