SCHEMBL9542349

SCHEMBL9542349

[CH]c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 4/20 0.54
ALOX5 P09917 1/20 0.50
PSMB8 P28062 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HCRTR1 O43613 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9542355 1.00 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL824375 0.77 NPC1 (0.69) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL29531707 0.77 NPC1 (0.69) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL6445384 0.71 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL10045305 0.71 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL129661 0.71 MAPT (0.59) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL1280187 0.71 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL6445389 0.71 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL430870 0.71 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8
SCHEMBL22190326 0.71 NPC1 (0.54) NPC1RAB9AMAPTALOX5PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252713-B1 INDOLINONE DERIVATIVES PFIZER INC. (US) 1990-09-12 EP claimed
EP-0252713-A1 Indolinone derivatives PFIZER INC. (US) 1988-01-13 EP claimed
WO-1993012786-A1 INDOLINONE DERIVATIVES HOWARD HARRY R JR (US) 1993-07-08 WO disclosed
US-5064852-A Antidiabetic agents; aldose reductase inhibitors PFIZER INC. (US) 1991-11-12 US disclosed
US-4960785-A Indolinone derivatives PFIZER INC. (US) 1990-10-02 US disclosed
EP-0252713-B1 INDOLINONE DERIVATIVES PFIZER INC. (US) 1990-09-12 EP disclosed
EP-0252713-A1 Indolinone derivatives PFIZER INC. (US) 1988-01-13 EP disclosed