SCHEMBL29457553

SCHEMBL29457553

CC(C(N)=O)c1ccc(Oc2cc(F)c(F)cc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.38
▸ FPR2 P25090 5/20 0.38
▸ ACACB O00763 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ ACACA Q13085 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ SELE P16581 1/20 0.32

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
SCHEMBL29457021 0.88 SCN4A (0.46) SCN9AFPR2MAPTSCN4ACARM1
SCHEMBL29457075 0.86 CARM1 (0.42) SCN9AFPR2ACACACARM1PRMT6
SCHEMBL29457033 0.82 APLNR (0.34) SCN9AFPR2
SCHEMBL29457068 0.81 SCN9A (0.45) SCN9AFPR2
SCHEMBL29457101 0.81 LPAR1 (0.39) SCN9AFPR2
SCHEMBL29457058 0.80 PTGER4 (0.39) SCN9AFPR2CARM1PRMT6
SCHEMBL29457020 0.79 CYP3A4 (0.40) —
SCHEMBL29457113 0.78 CARM1 (0.42) CARM1PRMT6
SCHEMBL29457090 0.77 PARP10 (0.46) SCN9AACACBPARP10SMN1; SMN2ACACA
SCHEMBL19738832 0.76 CACNA1I (0.46) PARP10KDM4E

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-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — WO disclosed
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