SCHEMBL9119083

SCHEMBL9119083

O=C(NC(=O)c1ccccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
PYGL P06737 2/20 0.46
TLR8 Q9NR97 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.43
AKR1B1 P15121 1/20 0.42
P2RX1 P51575 1/20 0.42
P2RX7 Q99572 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAS2R14 Q9NYV8 2/20 0.40
KAT6A Q92794 1/20 0.40
PPIA P62937 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9119160 0.89 SMN1; SMN2 (0.54) PYGLNPC1RAB9AHPGDGAA
SCHEMBL7752523 0.88 TRPV1 (0.57) TRPV1PYGLTLR8NPC1RAB9A
SCHEMBL9118302 0.87 KDM4E (0.51) TRPV1PYGLNPC1RAB9AKDM4E
SCHEMBL8419795 0.87 TRPV1 (0.59) TRPV1PYGLTLR8NPC1RAB9A
SCHEMBL9118561 0.81 NNMT (0.42) NPC1RAB9AHPGDGAAALDH1A1
SCHEMBL8011785 0.81 PYGL (0.47) TRPV1PYGLNPC1RAB9AKDM4E
SCHEMBL8011337 0.81 PYGL (0.47) TRPV1PYGLNPC1RAB9AKDM4E
SCHEMBL7748808 0.81 SMN1; SMN2 (0.52) TRPV1PYGLNPC1RAB9AKDM4E
SCHEMBL9117160 0.80 TLR7 (0.47) TRPV1TLR8NPC1KDM4EGAA
SCHEMBL9116249 0.80 PYGL (0.51) PYGLRAB9AKDM4EALDH1A1MAPT

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-1995033711-A1 PHENYL BENZOYL(NICOTINOYL) UREA DERIVATIVES HANWHA CORPORATION (KR) 1995-12-14 WO claimed