SCHEMBL9523476

SCHEMBL9523476

O=C(Nc1ccccc1Cl)c1nnc2ccc(Cl)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHB3 P54753 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HIF1A Q16665 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIK1 P39086 1/20 0.46
CYP1A2 P05177 2/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.41
MCL1 Q07820 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL9523535 0.90 POLB (0.47) MAPTSMN1; SMN2EPHB3NPC1RAB9A
SCHEMBL9524492 0.88 KCNMA1 (0.46) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL9524442 0.87 EPHB3 (0.54) MAPTEPHB3NPC1RAB9AHIF1A
SCHEMBL9524522 0.85 ALDH1A1 (0.51) MAPTSMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL9524344 0.85 TMPRSS4 (0.51) NPC1RAB9AHIF1ANPSR1GRIK1
SCHEMBL9525872 0.83 P2RX1 (0.50) MAPTSMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL9524620 0.81 P2RX1 (0.52) MAPTSMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL9525753 0.81 KCNMA1 (0.57) MAPTSMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL9524532 0.79 S1PR4 (0.44) MAPTSMN1; SMN2RAB9ANPSR1CYP2C19
SCHEMBL9523781 0.79 KCNMA1 (0.54) MAPTSMN1; SMN2NPC1RAB9AMAPK1

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 5 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-4877859-A HEAT RESISTANCE, WATER RESISTANCE; PACKAGING DAIKIN INDUSTRIES, LTD. (JP) 1989-10-31 US disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0284993-A2 Fluorine-containing novolak resin and derivative thereof DAIKIN INDUSTRIES, LIMITED (JP) 1988-10-05 EP disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed