SCHEMBL9722853

SCHEMBL9722853

CCCOC(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 2/20 0.57
CYP2C9 P11712 4/20 0.55
STAT1 P42224 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 5/20 0.52
KCNH2 Q12809 1/20 0.52
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 5/20 0.50
CYP2D6 P10635 3/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
LCK P06239 1/20 0.50
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL9722808 0.92 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL73574 0.89 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL9722788 0.88 CYP2C9 (0.60) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL11439414 0.88 CYP2C9 (0.54) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL9722767 0.88 CYP2C9 (0.53) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL9722769 0.86 CYP2C9 (0.57) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL11833323 0.86 PHLPP2 (0.56) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL9722789 0.86 CYP2C9 (0.51) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL9722781 0.82 CYP2C9 (0.53) NPC1RAB9ASMN1; SMN2MAPTCYP2C9
SCHEMBL212263 0.82 CYP2C9 (0.71) 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