SCHEMBL7568853

SCHEMBL7568853

O=[N+]([O-])c1ccccc1/N=N/c1cc(CCCO)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PLAU P00749 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL7568855 1.00 PTPN11 (0.43) PTPN11NPC1RAB9APLAUPOLB
SCHEMBL7566189 0.96 PTPN11 (0.42) PTPN11NPC1RAB9APLAUPOLB
SCHEMBL7566182 0.96 PTPN11 (0.42) PTPN11NPC1RAB9APLAUPOLB
SCHEMBL7564402 0.92 PTPN11 (0.44) PTPN11NPC1RAB9APLAUPOLB
SCHEMBL7564410 0.92 PTPN11 (0.44) PTPN11NPC1RAB9APLAUPOLB
SCHEMBL9717709 0.89 NPC1 (0.43) PTPN11NPC1RAB9APLAUSMN1; SMN2
SCHEMBL9717707 0.89 NPC1 (0.43) PTPN11NPC1RAB9APLAUSMN1; SMN2
SCHEMBL11665171 0.87 KAT8 (0.45) PTPN11NPC1RAB9A
SCHEMBL5835286 0.87 KAT8 (0.45) PTPN11NPC1RAB9A
SCHEMBL5835290 0.87 KAT8 (0.45) PTPN11NPC1RAB9A

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
EP-0855393-B1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KK (JP) 2002-08-14 EP disclosed
EP-0855393-A1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-07-29 EP disclosed