SCHEMBL694686

SCHEMBL694686

Cc1cc2c[c]cc(-c3cccc(C(F)(F)F)c3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
MAPK14 Q16539 1/20 0.39
IKBKB O14920 1/20 0.39
XDH P47989 3/20 0.39
SCN2A Q99250 2/20 0.39
CTSS P25774 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL694766 0.82 MGAM (0.40) KDM4EALDH1A1HPGDNPSR1
SCHEMBL694685 0.72 CTSS (0.37) CTSSKDM4EALDH1A1HPGDADORA2A
SCHEMBL695042 0.70 RAPGEF4 (0.41) MAPK14IKBKBXDHCTSSKDM4E
SCHEMBL26375402 0.70 SLC1A3 (0.50) IKBKBKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL321574 0.70 AR (0.50) IKBKBKDM4EADORA2AADORA1BRD4
SCHEMBL8307164 0.69 RORB (0.44) IKBKBKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL12629284 0.67 SLC1A3 (0.48) IKBKBNPC1CYP1A2CYP3A4RAB9A
SCHEMBL694948 0.67 IKBKB (0.40) IKBKBXDHKDM4EHSD17B10ALDH1A1
SCHEMBL695489 0.67 SCN2A (0.47) PIN1MAPK14XDHSCN2ACTSS
SCHEMBL17840165 0.67 RORC (0.57) SCN2AKDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed