SCHEMBL9843014

SCHEMBL9843014

O=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TRPV1 Q8NER1 4/20 0.57
PTGS1 P23219 3/20 0.57
RORC P51449 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GMNN O75496 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
THRB P10828 1/20 0.56
PIM1 P11309 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAOA P21397 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2A P28223 1/20 0.56
AGTR1 P30556 1/20 0.56
CCKBR P32239 1/20 0.56

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
SCHEMBL11435148 0.95 TRPV1 (0.56) NPC1RAB9ATRPV1PTGS1RORC
SCHEMBL11427050 0.92 TRPV1 (0.56) NPC1RAB9ATRPV1PTGS1RORC
SCHEMBL9842872 0.85 HDAC3 (0.59) NPC1RAB9ATRPV1SMN1; SMN2CYP1A2
SCHEMBL8597230 0.83 NPC1 (0.56) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL9842888 0.82 TRPV1 (0.60) NPC1RAB9ATRPV1SMN1; SMN2LMNA
SCHEMBL9842954 0.81 NQO2 (0.54) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL6709253 0.81 KIF11 (0.50) TRPV1NPSR1TRPV4
SCHEMBL7513604 0.81 TRPV1 (0.83) NPC1RAB9ATRPV1PTGS1RORC
SCHEMBL8811207 0.80 TP53 (0.54) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9081513 0.80 TRPV1 (0.50) NPC1RAB9ATRPV1LMNA

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-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP claimed
EP-3310755-A1 A NOVEL PROCESS FOR THE PREPARATION OF TERIFLUNOMIDE Biocon Limited (IN) 2018-04-25 EP disclosed
WO-2016203410-A1 A NOVEL PROCESS FOR THE PREPARATION OF TERIFLUNOMIDE BIOCON LIMITED (IN) 2016-12-22 WO disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed