SCHEMBL9722762

SCHEMBL9722762

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.60
CYP2C9 P11712 3/20 0.53
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 2/20 0.52
SCN4A P35499 1/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LCK P06239 1/20 0.51
CYP3A4 P08684 5/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL21177836 0.90 KIT (0.61) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL9722783 0.87 KIT (0.58) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL11833319 0.86 KIT (0.57) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL9722779 0.86 NPC1 (0.55) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL9722781 0.83 CYP2C9 (0.53) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL212263 0.83 CYP2C9 (0.71) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL11634957 0.82 RAB9A (0.55) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL9722763 0.81 CYP2C9 (0.54) KITCYP2C9RAB9ANPC1SMN1; SMN2
SCHEMBL73574 0.80 RAB9A (0.65) CYP2C9RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1638828 0.78 RAB9A (0.59) CYP2C9RAB9ANPC1SMN1; 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 2 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