SCHEMBL9007330

SCHEMBL9007330

CC(C)Cc1cc(C(C)(C)C)cc(N=Nc2ccccc2[N+](=O)[O-])c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN11 Q06124 5/20 0.39
CES2 O00748 2/20 0.37
ACHE P22303 2/20 0.37
CES1 P23141 2/20 0.37
PLAU P00749 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
GPR35 Q9HC97 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL9007314 1.00 NPC1 (0.40) NPC1RAB9APTPN11CES2ACHE
SCHEMBL5186255 0.83 NPC1 (0.39) NPC1RAB9APTPN11CES2ACHE
SCHEMBL7699961 0.82 NPC1 (0.45) NPC1RAB9APTPN11CES2ACHE
SCHEMBL11733352 0.82 NPC1 (0.45) NPC1RAB9APTPN11CES2ACHE
SCHEMBL7699959 0.82 NPC1 (0.45) NPC1RAB9APTPN11CES2ACHE
SCHEMBL11733347 0.82 NPC1 (0.45) NPC1RAB9APTPN11CES2ACHE
SCHEMBL9260980 0.81 PTPN11 (0.40) NPC1RAB9APTPN11CES2ACHE
SCHEMBL5186248 0.81 PTPN11 (0.40) NPC1RAB9APTPN11CES2ACHE
SCHEMBL9007271 0.81 NPC1 (0.44) NPC1RAB9APTPN11CES2ACHE
SCHEMBL9007267 0.81 NPC1 (0.44) NPC1RAB9APTPN11CES2ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571924-A Process for the preparation of benzotriazoles CIBA-GEIGY CORPORATION (US) 1996-11-05 US disclosed
US-5276161-A Catalytic hydrogenation of o-nitrophenylazohydroxyphenyl compounds; noble metal catalyst and organic amine CIBA-GEIGY CORPORATION (US) 1994-01-04 US disclosed
EP-0419412-B1 Process for the preparation of benzotriazoles CIBA GEIGY AG (CH) 1993-11-10 EP disclosed
EP-0419412-A2 Process for the preparation of benzotriazoles CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed