SCHEMBL4291739

SCHEMBL4291739

CCCn1c(-c2c[nH]nc2Cc2cccc(F)c2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.60
IDO1 P14902 2/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
BRDT Q58F21 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
YES1 P07947 1/20 0.42
SRC P12931 1/20 0.42
EPHB4 P54760 1/20 0.42

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
SCHEMBL4285483 0.95 MEN1 (0.54) KDM1AIDO1MEN1KMT2AALDH1A1
SCHEMBL4284310 0.94 KDM1A (0.54) KDM1AIDO1MEN1KMT2AALDH1A1
SCHEMBL4018480 0.82 TPH1 (0.50) KDM1AIDO1MEN1KMT2AALDH1A1
SCHEMBL4016883 0.81 TPH1 (0.44) KDM1AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL5509419 0.78 ADORA3 (0.44) KDM1AIDO1MEN1KMT2AALDH1A1
SCHEMBL5687959 0.76 ADORA2B (0.63) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL4019166 0.75 NOD1 (0.37) KDM1AMEN1KMT2ABRDT
SCHEMBL4016921 0.75 ADORA2B (0.41) HTTLMNA
SCHEMBL4016181 0.74 MEN1 (0.42) KDM1AMEN1KMT2AALDH1A1HPGD
SCHEMBL2327640 0.72 ADORA2B (0.62) KDM1AMEN1KMT2AALDH1A1KDM4E

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-2009157938-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CV THERAPEUTICS, INC. (US) 2009-12-30 WO disclosed