SCHEMBL28473635

SCHEMBL28473635

COC(=O)c1ccc2c(CNc3ncc(C(F)(F)F)cc3Cl)nn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ POLB P06746 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42

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
SCHEMBL28480695 0.91 TDP1 (0.47) L3MBTL1LMNAGAAMEN1KMT2A
SCHEMBL28472696 0.83 SCN9A (0.51) GAAPKM
SCHEMBL28475433 0.81 GAA (0.45) L3MBTL1LMNAGAAMEN1KMT2A
SCHEMBL28476156 0.78 KDR (0.42) L3MBTL1MEN1KMT2AMAPTKDM4E
SCHEMBL28475542 0.74 MAPT (0.49) LMNAGAAMEN1KMT2AMAPT
SCHEMBL28470048 0.73 MAPT (0.56) LMNAGAAMEN1KMT2APOLB
SCHEMBL28468125 0.72 LOXL2 (0.46) GAAKMT2AMAPTKDM4EHPGD
SCHEMBL27272748 0.72 SLC22A12 (0.44) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL30204298 0.71 NPC1 (0.54) L3MBTL1LMNAGAAMAPTKDM4E
SCHEMBL4960504 0.70 ACSS2 (0.38) GAAPOLBHPGDALDH1A1RAB9A

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
CN-111825595-A Sodium channel blockers 山东轩竹医药科技有限公司 2020-10-27 — — CN disclosed
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