SCHEMBL6967304

SCHEMBL6967304

O=C(NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.93
HPGD P15428 3/20 0.93
SMN1; SMN2 Q16637 2/20 0.83
PKM P14618 1/20 0.81
L3MBTL1 Q9Y468 2/20 0.69
POLB P06746 1/20 0.63
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
TAAR1 Q96RJ0 1/20 0.61
LMNA P02545 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
GAA P10253 1/20 0.58
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL9492603 0.88 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL10971124 0.84 ALDH1A1 (0.70) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL13602366 0.84 ALDH1A1 (0.70) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL10160183 0.83 SMN1; SMN2 (0.85) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL5149346 0.83 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL18798610 0.83 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL6962322 0.83 MEN1 (0.70) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL1083633 0.83 MEN1 (0.77) ALDH1A1HPGDSMN1; SMN2L3MBTL1RAB9A
SCHEMBL27723289 0.82 ALDH1A1 (0.83) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL15923520 0.82 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1

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 6 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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN 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
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed