SCHEMBL6587743

SCHEMBL6587743

Cc1[nH]nc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)c1Br

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MAP2K7 O14733 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
CDK2 P24941 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6587827 0.81 MAPT (0.49) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6589440 0.81 NLRP3 (0.58) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL2954499 0.81 L3MBTL1 (0.61) GAAKMT2AMEN1LMNAMAPT
SCHEMBL6587221 0.80 P2RY14 (0.55) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6587745 0.80 KMT2A (0.56) GAAKMT2AMEN1LMNAMAPT
SCHEMBL6586514 0.77 RAB9A (0.48) LMNAALDH1A1SMN1; SMN2
SCHEMBL6588756 0.76 SMN1; SMN2 (0.56) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6198851 0.75 GAA (0.57) GAAKMT2AMEN1LMNAMAPT
SCHEMBL391522 0.73 GAA (0.73) GAAKMT2AMEN1LMNAMAPT
SCHEMBL6587091 0.73 KIT (0.50) KMT2AMEN1SMN1; SMN2HTT

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