SCHEMBL25003163

SCHEMBL25003163

COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)ccn2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 2/20 0.50
▸ ABL1 P00519 1/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MGAM O43451 1/20 0.44
▸ POLB P06746 4/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ AMY1A P0DUB6 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 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
SCHEMBL27237491 1.00 GCGR (0.50) GCGRABL1KMT2AMEN1MGAM
SCHEMBL31213276 1.00 GCGR (0.50) GCGRABL1KMT2AMEN1MGAM
SCHEMBL27237436 0.87 GCGR (0.50) GCGRKMT2AMEN1MGAMPOLB
SCHEMBL25002989 0.87 GCGR (0.50) GCGRKMT2AMEN1MGAMPOLB
SCHEMBL30862206 0.86 ALDH1A1 (0.49) KMT2AMEN1MGAMPOLBMAPT
SCHEMBL25002957 0.86 ALDH1A1 (0.49) KMT2AMEN1MGAMPOLBMAPT
SCHEMBL27237453 0.86 ALDH1A1 (0.49) KMT2AMEN1MGAMPOLBMAPT
SCHEMBL25002959 0.85 AMY1A (0.50) KMT2AMEN1MGAMPOLBMAPT
SCHEMBL30862203 0.85 AMY1A (0.50) KMT2AMEN1MGAMPOLBMAPT
SCHEMBL27237399 0.85 AMY1A (0.50) KMT2AMEN1MGAMPOLBMAPT

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
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 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
WO-2023010192-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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