SCHEMBL1435403

SCHEMBL1435403

O=C(C=Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.54
PARP1 P09874 1/20 0.52
MAPT P10636 15/20 0.49
LMNA P02545 9/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 4/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 3/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 2/20 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
SCHEMBL1435318 0.87 CYP1B1 (0.54) CYP1B1PARP1MAPTLMNASMN1; SMN2
SCHEMBL1435687 0.87 MAPT (0.60) CYP1B1PARP1MAPTLMNASMN1; SMN2
SCHEMBL1435433 0.87 TP53 (0.53) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL1435414 0.84 MAOB (0.56) CYP1B1PARP1MAPTLMNASMN1; SMN2
SCHEMBL1435404 0.84 MAPT (0.56) CYP1B1PARP1MAPTSMN1; SMN2KDM4E
SCHEMBL1435550 0.83 CYP1B1 (0.57) CYP1B1PARP1MAPTLMNASMN1; SMN2
SCHEMBL31401011 0.77 LMNA (0.55) MAPTLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL28479905 0.76 MAPT (0.50) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL1435357 0.76 HTR2C (0.52) CYP1B1PARP1MAPTLMNAKDM4E
SCHEMBL1435504 0.76 MAPT (0.54) MAPTLMNAMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP disclosed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO disclosed