SCHEMBL7564410

SCHEMBL7564410

O=[N+]([O-])c1ccccc1N=Nc1cc(CCO)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PLAU P00749 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 2/20 0.41
PTPN6 P29350 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40

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
SCHEMBL7564402 1.00 PTPN11 (0.44) PTPN11NPC1RAB9APLAUTSHR
SCHEMBL7568855 0.92 PTPN11 (0.43) PTPN11NPC1RAB9APLAUKDM4E
SCHEMBL7568853 0.92 PTPN11 (0.43) PTPN11NPC1RAB9APLAUKDM4E
SCHEMBL7566182 0.91 PTPN11 (0.42) PTPN11NPC1RAB9APLAUKDM4E
SCHEMBL7566189 0.91 PTPN11 (0.42) PTPN11NPC1RAB9APLAUKDM4E
SCHEMBL9717709 0.86 NPC1 (0.43) PTPN11NPC1RAB9APLAUPTPN1
SCHEMBL9717707 0.86 NPC1 (0.43) PTPN11NPC1RAB9APLAUPTPN1
SCHEMBL5835286 0.84 KAT8 (0.45) PTPN11NPC1RAB9A
SCHEMBL11665171 0.84 KAT8 (0.45) PTPN11NPC1RAB9A
SCHEMBL5835290 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855393-B1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KK (JP) 2002-08-14 EP disclosed
US-5922882-A ULTRAVIOLET RADIATION ABSORBER; COPOLYMERIZATION COMPONENT OF BISBENZOTRIAZOLE COMPRISING A COPOLYCARBONATE, A COPOLYESTER, A COPOLYURETHANE AND A COPOLYURETHANEURA OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-07-13 US disclosed
EP-0855393-A1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-07-29 EP disclosed