SCHEMBL30925932

SCHEMBL30925932

COc1cc(/C=N/NC(=O)c2cncc(-c3ccccc3N3CCOCC3)n2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 3/20 0.43
MGAM O43451 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CA P42336 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL29214893 1.00 TSHR (0.46) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL24994272 1.00 TSHR (0.46) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL30925972 0.84 MAPT (0.44) MAPTMEN1KMT2ANPC1PKM
SCHEMBL29215116 0.82 MGAM (0.49) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL24994750 0.82 MGAM (0.49) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL24994753 0.82 MGAM (0.52) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL29214818 0.82 MGAM (0.52) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL24994739 0.81 MGAM (0.48) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL24993626 0.81 MGAM (0.48) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL29215111 0.81 MGAM (0.48) MAPTMEN1KMT2ANPC1ALDH1A1

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