SCHEMBL9305825

SCHEMBL9305825

O=C(Nc1ccccc1)c1ccc2nc(Cl)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.72
RAB9A P51151 11/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 1/20 0.72
HTT P42858 2/20 0.62
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
LCK P06239 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HDAC1 Q13547 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL1748004 0.81 SMN1; SMN2 (0.63) NPC1RAB9AALDH1A1LMNALCK
SCHEMBL1036069 0.79 KDM4E (0.62) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL5757247 0.79 NPC1 (0.65) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL14807050 0.79 HTT (0.79) NPC1RAB9AALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL7753018 0.78 KDM4E (0.60) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL10759303 0.78 NPC1 (0.63) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL31469985 0.78 RAB9A (0.51) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL5534541 0.77 HTT (1.00) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL1095256 0.76 SMN1; SMN2 (0.46) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7452674 0.76 RAB9A (0.65) NPC1RAB9AALDH1A1LMNAHTT

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed