SCHEMBL24994779

SCHEMBL24994779

CCOc1ccc(-c2nc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)cnc2CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MGAM O43451 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ POLB P06746 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL29214880 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL24994782 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL30925922 0.90 MEN1 (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL24994777 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL29214926 0.89 MAPT (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL29214993 0.89 KMT2A (0.47) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL29214940 0.89 MAPT (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL29214987 0.89 KMT2A (0.47) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL30925906 0.87 MEN1 (0.46) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL29215098 0.87 MEN1 (0.46) KMT2AMEN1ALDH1A1TP53MAPT

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 3 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
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 — — WO disclosed
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