SCHEMBL6587745

SCHEMBL6587745

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.55
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
MAP2K7 O14733 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6589442 0.82 NLRP3 (0.61) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL6587830 0.81 MEN1 (0.47) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6587743 0.80 GAA (0.57) KMT2AMEN1MAPTLMNAGAA
SCHEMBL6587226 0.79 USP2 (0.56) KMT2AMEN1MAPTLMNAHTT
SCHEMBL6586518 0.78 RAB9A (0.47) LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL6588758 0.76 SMN1; SMN2 (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2954499 0.76 L3MBTL1 (0.61) KMT2AMEN1MAPTLMNAGAA
SCHEMBL6590589 0.74 ALDH1A1 (0.40) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL391522 0.74 GAA (0.73) KMT2AMEN1MAPTLMNAGAA
SCHEMBL6587095 0.72 ROCK2 (0.49) MAPTSMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed