SCHEMBL7016549

SCHEMBL7016549

Cc1nccn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.63
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CYP19A1 P11511 1/20 0.52
DBH P09172 1/20 0.50
SOS1 Q07889 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL31270697 0.83 LMNA (0.74) LMNAL3MBTL1KMT2AALDH1A1MAPT
SCHEMBL3182549 0.82 HTT (0.54) NOS1LMNAMEN1KMT2ACYP19A1
SCHEMBL10425561 0.82 KMT2A (0.55) NOS1LMNAMEN1KMT2ACYP19A1
SCHEMBL15973849 0.81 NOS1 (0.55) NOS1LMNAL3MBTL1MEN1KMT2A
SCHEMBL9526918 0.81 HTT (0.53) NOS1LMNAL3MBTL1SOS1ALDH1A1
SCHEMBL4829087 0.79 HTT (0.60) NOS1LMNAMEN1KMT2ACYP19A1
SCHEMBL17743741 0.79 BRD4 (0.52) NOS1LMNAMEN1KMT2ACYP19A1
SCHEMBL169675 0.79 LMNA (0.68) LMNAL3MBTL1KMT2ACYP19A1ALDH1A1
SCHEMBL31729500 0.79 LMNA (0.68) LMNAL3MBTL1KMT2AALDH1A1POLB
SCHEMBL6787052 0.78 NOS1 (0.52) NOS1MEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
EP-0972769-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-04-16 EP disclosed
EP-0630374-B1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-09-05 EP disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 EP disclosed
EP-0497512-B1 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME (GB) 1997-09-24 EP disclosed
EP-0778275-A1 Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists MERCK SHARP & DOHME LTD. (GB) 1997-06-11 EP disclosed
US-5602163-A SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES MERCK, SHARP & DOHME LTD. (GB) 1997-02-11 US disclosed
US-5510362-A VASOCONSTRUCTION MERCK, SHARP AND DOHME LIMITED (GB) 1996-04-23 US disclosed
US-5451588-A Treatment of migraines MERCK SHARP & DOHME LTD. (GB) 1995-09-19 US disclosed
US-5298520-A Triazole containing indole derivatives MERCK SHARP & DOHME LIMITED (GB) 1994-03-29 US disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 EP disclosed