SCHEMBL9722875

SCHEMBL9722875

Nc1nc2ccc(C(=O)Oc3ccccc3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 1/20 0.55
CYP3A4 P08684 4/20 0.53
CA2 P00918 1/20 0.53
PIK3CA P42336 1/20 0.51
PI4KA P42356 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
TMPRSS15 P98073 2/20 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
SCHEMBL21186386 0.81 CYP2D6 (0.63) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7759315 0.80 LMNA (0.67) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL212263 0.80 CYP2C9 (0.71) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL20764173 0.80 CYP2C9 (0.55) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL211024 0.79 RAB9A (0.66) NPC1RAB9AALDH1A1LMNAMAPT
Bromide SCHEMBL10947640 0.78 RAB9A (0.64) NPC1RAB9AALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4680538 0.78 RAB9A (0.64) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL21177836 0.77 KIT (0.61) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL73574 0.77 RAB9A (0.65) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL3113684 0.76 RAB9A (0.61) NPC1RAB9AALDH1A1LMNAMAPT

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