SCHEMBL9524693

SCHEMBL9524693

COc1ccc2nnc(C(=O)Nc3cccc(Cl)c3)c(O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAOB P27338 2/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.47
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL9524714 0.91 NPC1 (0.56) FADS1NPC1RAB9AMAPTMEN1
SCHEMBL9524233 0.88 DHODH (0.54) NPC1RAB9AMAOBMAPTMEN1
SCHEMBL9524620 0.87 P2RX1 (0.52) FADS1NPC1RAB9AMAPTMEN1
SCHEMBL9524171 0.87 MAPT (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9525673 0.85 MAOB (0.50) FADS1NPC1RAB9AMAOBMEN1
SCHEMBL9525519 0.83 FADS1 (0.52) FADS1NPC1RAB9AMAPTMEN1
SCHEMBL9524250 0.83 HIF1A (0.58) FADS1NPC1RAB9AMAOBMAPT
SCHEMBL9524507 0.83 P2RX1 (0.50) FADS1NPC1RAB9AMAPTMEN1
SCHEMBL9525671 0.83 RAB9A (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9524724 0.82 MAPT (0.54) NPC1RAB9AMAPTMEN1KMT2A

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