SCHEMBL14940458

SCHEMBL14940458

O=C1c2ccccc2C(=O)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA2A P29274 1/20 0.46
HTR2C P28335 3/20 0.45
HTR2A P28223 1/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14939148 0.81 TP53 (0.58) HTR2BTP53MAPTLMNAMAPK1
Fluindarol SCHEMBL2110111 0.80 MAPT (0.61) HTR2BTP53MAPTLMNAMAPK1
SCHEMBL14939515 0.79 RAB9A (0.49) HTR2BTP53MAPTLMNAMAPK1
SCHEMBL14665736 0.79 HTR2C (0.47) HTR2BMAPK1HTR2CHTR2ATSHR
SCHEMBL14940009 0.77 MAPT (0.61) HTR2BTP53MAPTLMNAMAPK1
SCHEMBL11540712 0.73 ALDH1A1 (0.61) MAPTLMNAHTR2CGAANPSR1
SCHEMBL8957963 0.73 MEN1 (0.63) HTR2BTP53MAPTLMNAMAPK1
SCHEMBL4573093 0.73 MEN1 (0.68) HTR2BTP53MAPTLMNAMAPK1
SCHEMBL14939315 0.73 MEN1 (0.63) HTR2BTP53MAPTLMNAMAPK1
SCHEMBL14939598 0.73 RAB9A (0.63) HTR2BTP53MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed