SCHEMBL8315244

SCHEMBL8315244

O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1Cc2ccc(C(=O)C(F)(F)F)n2Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AVPR2 P30518 7/20 0.44
AVPR1A P37288 5/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7331634 0.85 AVPR1A (0.46) MEN1KMT2AAVPR2AVPR1AALDH1A1
SCHEMBL8628737 0.83 MEN1 (0.45) MEN1KMT2AAVPR2AVPR1AALDH1A1
SCHEMBL7360343 0.83 AVPR1A (0.44) MEN1KMT2AAVPR2AVPR1AALDH1A1
SCHEMBL7339596 0.82 AVPR2 (0.49) MEN1KMT2AAVPR2AVPR1AMAPT
SCHEMBL7333493 0.79 AVPR1A (0.48) AVPR2AVPR1A
SCHEMBL8315803 0.79 AVPR2 (0.46) AVPR2AVPR1AMAPT
SCHEMBL7340153 0.74 AVPR1A (0.43) MEN1KMT2AAVPR2AVPR1AALDH1A1
SCHEMBL7332088 0.74 AVPR2 (0.50) MEN1KMT2AAVPR2AVPR1AMAPT
SCHEMBL13403230 0.72 AVPR1A (0.53) KMT2AAVPR2AVPR1AALDH1A1SMN1; SMN2
SCHEMBL3553869 0.71 AVPR1A (0.44) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed