SCHEMBL9524933

SCHEMBL9524933

COc1ccc2nnc(OC(=O)Nc3ccccn3)c(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
F2 P00734 1/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
AKR1B10 O60218 2/20 0.42
ALOX12 P18054 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.40
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
PKM P14618 2/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL9525703 0.87 RAB9A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9525669 0.85 NPC1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9525903 0.85 KCNMA1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9527748 0.84 SMN1; SMN2 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9523603 0.84 NPC1 (0.45) NPC1RAB9AKMT2AMEN1F2
SCHEMBL9524202 0.83 F2 (0.56) NPC1RAB9AKMT2AMEN1F2
SCHEMBL9524784 0.77 TACR3 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL31414640 0.75 F2 (0.57) NPC1RAB9AKMT2AMEN1F2
SCHEMBL9524403 0.75 RAB9A (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9525121 0.75 FLT3 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1

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
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed