SCHEMBL30862209

SCHEMBL30862209

COc1ccc(-c2ccnc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.62
▸ HPGD P15428 7/20 0.62
▸ MAPT P10636 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ CYP1A2 P05177 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HSD17B10 Q99714 2/20 0.52
▸ MGAM O43451 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL25002951 1.00 ALDH1A1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL27237480 1.00 ALDH1A1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL27237478 0.93 ALDH1A1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25002950 0.93 ALDH1A1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25002988 0.93 ALDH1A1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL27237405 0.93 ALDH1A1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL25002952 0.92 ALDH1A1 (0.53) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL27237458 0.92 ALDH1A1 (0.53) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL30862208 0.91 ALDH1A1 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL30862202 0.91 ALDH1A1 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E

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-118076347-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
EP-4382101-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) 2024-06-12 — — EP disclosed
CN-118076347-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
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