SCHEMBL6962971

SCHEMBL6962971

O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.89
RAB9A P51151 3/20 0.89
NPC1 O15118 2/20 0.89
TAAR1 Q96RJ0 1/20 0.89
ALDH1A1 P00352 4/20 0.73
HPGD P15428 2/20 0.73
MAPT P10636 5/20 0.70
LMNA P02545 2/20 0.70
KDM4E B2RXH2 1/20 0.70
USP2 O75604 1/20 0.70
MAOA P21397 2/20 0.66
KDM1A O60341 1/20 0.66
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ESRRG P62508 1/20 0.61
PKM P14618 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
MAOB P27338 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL11024162 0.94 RAB9A (1.00) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
Nitric Acid SCHEMBL18329349 0.86 RAB9A (0.76) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL9110278 0.86 RAB9A (0.67) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL6961817 0.85 CA2 (0.68) SMN1; SMN2RAB9ANPC1TAAR1MEN1
SCHEMBL10160183 0.85 SMN1; SMN2 (0.85) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL4067332 0.84 PKM (0.82) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL6410116 0.84 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL17372423 0.84 RAB9A (0.81) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL1695076 0.83 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL751214 0.82 HDAC2 (0.80) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1

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-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed