SCHEMBL7001029

SCHEMBL7001029

CCC1Oc2cc([N+](=O)[O-])ccc2NC1=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 6/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 6/20 0.47
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 3/20 0.40
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CAPN9 O14815 1/20 0.38
CASP3 P42574 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL6999391 0.91 KMT2A (0.46) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8112059 0.90 KMT2A (0.47) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL5518583 0.88 KMT2A (0.65) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7003210 0.83 KMT2A (0.48) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8113220 0.83 KMT2A (0.60) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL6997454 0.78 KMT2A (0.55) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL30806329 0.76 KMT2A (0.61) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL17996440 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7476036 0.75 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL5514499 0.74 KMT2A (0.56) KMT2AMEN1ALDH1A1GAAMAPT

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-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed