SCHEMBL6585535

SCHEMBL6585535

NC(=O)c1ccccc1NC(=O)Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
PARP1 P09874 2/20 0.49
LMNA P02545 2/20 0.48
MAPK14 Q16539 1/20 0.47
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIK1 P39086 1/20 0.41

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
SCHEMBL6590235 0.80 CNR1 (0.57)
SCHEMBL6587095 0.78 ROCK2 (0.49) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6585342 0.78 NR2E3 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6587574 0.78 CNR1 (0.56) KDM4EMEN1KMT2ALMNAPKM
SCHEMBL6585533 0.78 MEN1 (0.53) KDM4EMEN1KMT2APARP1LMNA
SCHEMBL6588837 0.77 NOX1 (0.51) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL6590860 0.77 RAF1 (0.48) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6590589 0.76 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL6587936 0.76 RAB9A (0.48) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL2950544 0.73 L3MBTL1 (0.56) KDM4EMEN1KMT2APARP1LMNA

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 5 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-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO 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