SCHEMBL9801446

SCHEMBL9801446

O=[N+]([O-])c1ccccc1N=NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.59
PTPN11 Q06124 3/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CCNT1 O60563 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
CCNA1 P78396 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CES2 O00748 2/20 0.47

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
SCHEMBL9275769 1.00 PLAU (0.59) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL9801440 0.82 PLAU (0.56) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL5838346 0.81 NPC1 (0.59) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL24213305 0.81 NPC1 (0.59) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL5838349 0.81 NPC1 (0.59) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL13021483 0.80 PLAU (0.55) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL3184824 0.79 PLAU (0.62) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL1263553 0.78 PLAU (0.53) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL1263552 0.78 PLAU (0.53) PLAUPTPN11NPC1RAB9ACCNT1
SCHEMBL9006324 0.77 NPC1 (0.59) PLAUPTPN11NPC1RAB9ACCNT1

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-3978074-A CATALYTIC HYDROGENATION UNIROYAL INC. (US) 1976-08-31 US claimed
EP-0419412-A2 Process for the preparation of benzotriazoles CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed