SCHEMBL13239409

SCHEMBL13239409

CS(=O)(=O)N1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
AVPR2 P30518 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 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
SCHEMBL13239411 0.91 RECQL (0.42) RECQLMAPTKMT2AMEN1LMNA
SCHEMBL8268545 0.87 MAPT (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2957394 0.87 MAPT (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL13239413 0.86 LMNA (0.40) LMNASMN1; SMN2AVPR2
SCHEMBL2961930 0.86 LMNA (0.40) LMNASMN1; SMN2AVPR2
SCHEMBL2961925 0.85 HSD17B3 (0.40) LMNASMN1; SMN2AVPR2
SCHEMBL4351692 0.85 MAPT (0.42) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2954152 0.83 NPC1 (0.42) MAPTKMT2AMEN1LMNAHTT
SCHEMBL8267136 0.83 NPC1 (0.42) MAPTKMT2AMEN1LMNAHTT
SCHEMBL8268543 0.82 MAPT (0.48) MAPTKMT2AMEN1LMNAHTT

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
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed