SCHEMBL30925930

SCHEMBL30925930

COc1cc(/C=N/NC(=O)c2cncc(N3CCC(F)(F)C(C)C3)n2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 3/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
AMY1A P0DUB6 1/20 0.33

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
SCHEMBL24994279 1.00 KMT2A (0.38) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL27237651 1.00 KMT2A (0.38) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL30925917 0.88 KMT2A (0.41) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL24993565 0.88 KMT2A (0.41) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL29215025 0.88 KMT2A (0.41) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL30925907 0.84 SCN10A (0.39) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL24993542 0.84 SCN10A (0.39) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL29214962 0.84 SCN10A (0.39) KMT2AMEN1SCN10AHTTMGAM
SCHEMBL24994264 0.82 KMT2A (0.44) KMT2AMEN1HTTMGAMMAPT
SCHEMBL29215195 0.82 KMT2A (0.44) KMT2AMEN1HTTMGAMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 CN claimed
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 CN disclosed