SCHEMBL9527461

SCHEMBL9527461

COc1ccc(NC(=O)c2nnc3ccccc3c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.61
HIF1A Q16665 1/20 0.57
CDK2 P24941 1/20 0.57
FLT3 P36888 1/20 0.57
CYP3A4 P08684 3/20 0.53
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 2/20 0.49
PNLIP P16233 1/20 0.49

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
SCHEMBL9523496 0.86 FLT3 (0.60) HIF1AFLT3NPC1RAB9AMAPT
SCHEMBL9524412 0.85 ADORA3 (0.54) ADORA3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9524562 0.85 ADORA3 (0.59) ADORA3FLT3CYP3A4NPC1RAB9A
SCHEMBL9524233 0.85 DHODH (0.54) ADORA3HIF1ACDK2FLT3NPC1
SCHEMBL9524877 0.85 ADORA3 (0.56) ADORA3HIF1ACDK2FLT3CYP3A4
SCHEMBL9525863 0.83 RAB9A (0.49) ADORA3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9527446 0.83 ADORA3 (0.51) ADORA3RAB9AMAPTPKMMEN1
SCHEMBL9524531 0.83 HIF1A (0.54) ADORA3HIF1ANPC1RAB9AMAPT
SCHEMBL9523892 0.81 HIF1A (0.53) ADORA3HIF1ACYP3A4NPC1RAB9A
SCHEMBL9525813 0.81 MEN1 (0.50) ADORA3NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed