SCHEMBL7417826

SCHEMBL7417826

CCCCCc1cc([N+](=O)[O-])ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
MITF O75030 1/20 0.42
KCNH2 Q12809 2/20 0.42
ESPL1 Q14674 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7207882 0.99 KMT2A (0.51) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL27182378 0.99 KMT2A (0.51) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL27958259 0.99 KMT2A (0.51) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL11615752 0.99 KMT2A (0.51) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL5511867 0.96 KMT2A (0.54) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL6272138 0.90 KMT2A (0.56) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL22124694 0.87 ALDH1A1 (0.51) KMT2AALDH1A1TDP1CYP3A4MEN1
SCHEMBL28628640 0.87 KMT2A (0.63) KMT2AALDH1A1TDP1CYP3A4POLB
SCHEMBL8094971 0.86 ALDH1A1 (0.49) KMT2AALDH1A1TDP1POLBMEN1
SCHEMBL8092479 0.86 ALDH1A1 (0.49) KMT2AALDH1A1TDP1POLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819113-B1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS INC (US) 2001-06-27 EP disclosed
EP-1079820-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-03-07 EP disclosed
WO-1999059569-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
CN-1218399-A Benzamide treatment of dementia associated with AIDs virus (HIV-4) infection CENTAUR PHARMACEUTICALS INC (US) 1999-06-02 CN disclosed