SCHEMBL10463259

SCHEMBL10463259

O=[N+]([O-])c1cccc2ccc3cc[nH]c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
APEX1 P27695 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOS2 P35228 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL15801718 0.86 ALDH1A1 (0.42) TYMSMAPTTDP1MEN1KMT2A
SCHEMBL259909 0.86 TDP1 (0.54) MAPTTDP1MEN1KMT2AKDM4E
SCHEMBL7423121 0.81 ALDH1A1 (0.58) TYMSMAPTTDP1MEN1KMT2A
SCHEMBL15596391 0.79 ALDH1A1 (0.47) MAPTTDP1MEN1KMT2AKDM4E
SCHEMBL187697 0.78 ALDH1A1 (0.61) TYMSMAPTTDP1MEN1KMT2A
SCHEMBL29626558 0.78 ALDH1A1 (0.61) TYMSMAPTTDP1MEN1KMT2A
Ethane SCHEMBL28964520 0.76 MAPT (0.45) MAPTTDP1MEN1KMT2AKDM4E
Ethane SCHEMBL28964525 0.75 MAPT (0.44) MAPTTDP1MEN1KMT2AKDM4E
SCHEMBL15796857 0.74 ALDH1A1 (0.47) MAPTTDP1MEN1KMT2AALDH1A1
Pyrene SCHEMBL27684019 0.74 ALDH1A1 (0.63) TYMSMAPTTDP1MEN1KMT2A

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-4959479-A PESTICIDES, DRUGS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1990-09-25 US disclosed
US-4889937-A MEDICINES, PESTICIDES AND INDUSTRIAL CHEMICALS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-12-26 US disclosed