SCHEMBL6585533

SCHEMBL6585533

Cc1[nH]nc(-c2cccc(NC(=O)Nc3ccccc3C(N)=O)c2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
KDM4E B2RXH2 7/20 0.53
PARP1 P09874 1/20 0.49
LMNA P02545 2/20 0.48
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
TTK P33981 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DDX3X O00571 1/20 0.43
KDR P35968 3/20 0.42
PDGFRA P16234 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
SCHEMBL6590232 0.80 CNR1 (0.59) MAPT
SCHEMBL2950544 0.80 L3MBTL1 (0.56) MEN1KMT2AKDM4EPARP1LMNA
SCHEMBL6590857 0.79 RAF1 (0.50) SMN1; SMN2KDRPDGFRA
SCHEMBL6586829 0.78 MAPT (0.47) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6585335 0.78 BDKRB1 (0.53) NPC1MAPTRAB9A
SCHEMBL6588831 0.78 MEN1 (0.52) MEN1KMT2ALMNANPC1MAPT
SCHEMBL6587567 0.78 CNR1 (0.56) MEN1KMT2AKDM4ELMNAPKM
SCHEMBL6585535 0.78 KDM4E (0.53) MEN1KMT2AKDM4EPARP1LMNA
SCHEMBL6587091 0.77 KIT (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6587933 0.76 RAB9A (0.48) MEN1KMT2AALDH1A1PKMNPC1

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