SCHEMBL8944624

SCHEMBL8944624

O=[N+]([O-])c1ccc2ccccc2c1-c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CASP6 P55212 3/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
CTSB P07858 2/20 0.51
ALDH1A1 P00352 3/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
HPRT1 P00492 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL31219526 0.85 ALDH1A1 (0.59) MAPTCASP6POLBAPEX1CTSB
SCHEMBL17998719 0.85 ALDH1A1 (0.59) MAPTCASP6POLBAPEX1CTSB
SCHEMBL9162298 0.84 CTSB (0.59) MAPTCASP6POLBAPEX1CTSB
SCHEMBL8944627 0.81 ALDH1A1 (0.59) MAPTCASP6POLBAPEX1CTSB
SCHEMBL27330819 0.79 CTSB (0.53) MAPTCASP6POLBAPEX1CTSB
SCHEMBL19660346 0.79 HPRT1 (0.61) MAPTCASP6POLBAPEX1CTSB
SCHEMBL24326903 0.79 ALDH1A1 (0.51) MAPTCASP6POLBAPEX1CTSB
SCHEMBL20029707 0.79 ALDH1A1 (0.51) MAPTCASP6POLBAPEX1CTSB
SCHEMBL18967517 0.78 ALDH1A1 (0.48) MAPTCASP6POLBAPEX1CTSB
SCHEMBL23499978 0.78 ALDH1A1 (0.50) MAPTCASP6POLBAPEX1CTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101578275-A Anilinopiperazine derivatives and methods of use thereof SCHERING CORP (US) 2009-11-11 CN disclosed
US-5589100-A LIQUID CRYSTAL DISPLAY SUBSTRATES WITH ARYLAZO OR POLYARYLAZO DYES HERCULES INCORPORATED (US) 1996-12-31 US disclosed
US-5326865-A Arylazo and poly(arylazo) dyes having at least one core radical selected from naphthyl or anthracyl and having at least one 2,3-dihydro-1,3-dialkyl perimidine substituent HERCULES INCORPORATED (US) 1994-07-05 US disclosed
EP-0460504-B1 Dichroic azo dyes HERCULES INC (US) 1994-04-27 EP disclosed
EP-0460504-A1 Dichroic azo dyes HERCULES INCORPORATED (US) 1991-12-11 EP disclosed