SCHEMBL9722779

SCHEMBL9722779

CCC(O)OC(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 1/20 0.55
KIT P10721 1/20 0.54
CYP2C9 P11712 4/20 0.53
CYP3A4 P08684 5/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LCK P06239 1/20 0.51
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C19 P33261 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
SCHEMBL9722762 0.86 KIT (0.60) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL9722763 0.85 CYP2C9 (0.54) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL21177836 0.84 KIT (0.61) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL73574 0.82 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL9722783 0.81 KIT (0.58) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL11833319 0.80 KIT (0.57) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL9722781 0.80 CYP2C9 (0.53) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL212263 0.80 CYP2C9 (0.71) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL9722853 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTKIT
SCHEMBL17507182 0.79 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTCYP2C9

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
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed