SCHEMBL9722781

SCHEMBL9722781

CC(O)COC(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.53
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
MAPT P10636 1/20 0.52
KIT P10721 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 4/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 3/20 0.48
STAT1 P42224 1/20 0.48
LCK P06239 1/20 0.48
LMNA P02545 1/20 0.48
SCN4A P35499 1/20 0.48
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL73574 0.84 RAB9A (0.65) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722762 0.83 KIT (0.60) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722853 0.82 NPC1 (0.57) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21177836 0.82 KIT (0.61) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11439414 0.81 CYP2C9 (0.54) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722788 0.81 CYP2C9 (0.60) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722767 0.81 CYP2C9 (0.53) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722808 0.80 NPC1 (0.55) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722779 0.80 NPC1 (0.55) CYP2C9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL212263 0.80 CYP2C9 (0.71) CYP2C9NPC1RAB9ASMN1; SMN2MAPT

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