SCHEMBL30925972

SCHEMBL30925972

COc1cc(/C=N/NC(=O)c2cncc(N3CCOCC3)n2)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KDM4E B2RXH2 7/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 3/20 0.44
NPC1 O15118 1/20 0.44
PIK3CA P42336 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL24994264 0.90 KMT2A (0.44) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL29215195 0.90 KMT2A (0.44) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL30925917 0.87 KMT2A (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL24993565 0.87 KMT2A (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29215025 0.87 KMT2A (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29215065 0.86 KMT2A (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL24994261 0.86 KMT2A (0.41) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL24994272 0.84 TSHR (0.46) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL30925932 0.84 TSHR (0.46) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29214893 0.84 TSHR (0.46) MAPTKDM4EKMT2AMEN1ALDH1A1

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