SCHEMBL8622331

SCHEMBL8622331

Nc1ccc(NOc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
CYP3A4 P08684 4/20 0.52
MAOA P21397 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTT P42858 2/20 0.52
ALOX12 P18054 1/20 0.52
RAB9A P51151 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.42
NLRP3 Q96P20 1/20 0.42
TSHR P16473 2/20 0.42
KEAP1 Q14145 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL29006124 0.91 MAPT (0.52) MAPTALDH1A1L3MBTL1CYP3A4MAOA
SCHEMBL20679041 0.89 NR4A1 (0.50) MAPTALDH1A1L3MBTL1CYP3A4MAOA
SCHEMBL29088062 0.86 MAOA (0.63) MAPTALDH1A1L3MBTL1CYP3A4MAOA
SCHEMBL251644 0.84 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL8896647 0.80 ALDH1A1 (0.41) MAPTALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL19411968 0.79 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL4068582 0.78 HPGD (0.52) MAPTALDH1A1L3MBTL1HTTALOX12
SCHEMBL29006127 0.78 MAOB (0.57) MAPTALDH1A1CYP3A4MAOAHTT
SCHEMBL15839989 0.78 MEN1 (0.57) MAPTALDH1A1CYP3A4MAOARAB9A
SCHEMBL23045906 0.77 TAAR1 (0.46) MAPTALDH1A1CYP3A4MAOAKMT2A

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
JP-10045690-A None JP disclosed
JP-H1045690-A BIS-SUBSTITUTED PHENOXYPHENYLENEDIAMINE DERIVATIVE AND PRODUCTION THEREOF NISSAN CHEM IND LTD 1998-02-17 JP disclosed