SCHEMBL25003934

SCHEMBL25003934

COC(=O)c1ccnc(-c2ccc(OC3CCCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ KDM6B O15054 2/20 0.52
▸ KDM5C P41229 2/20 0.52
▸ KDM4C Q9H3R0 2/20 0.52
▸ KDM2A Q9Y2K7 2/20 0.52
▸ KDM3A Q9Y4C1 2/20 0.52
▸ JMJD6 Q6NYC1 2/20 0.49
▸ FDPS P14324 3/20 0.47
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM1A O60341 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL25003802 0.84 FDPS (0.48) JMJD6FDPSSCN10ALMNANPC1
SCHEMBL25003822 0.82 KDM4E (0.63) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25003563 0.81 KMO (0.52) FDPSLMNAPDE4DNPC1ALDH1A1
SCHEMBL25002908 0.80 FDPS (0.57) FDPSLMNAPDE4DNPC1ALDH1A1
SCHEMBL27997808 0.80 KDM4E (0.69) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL7317661 0.79 PARP10 (0.54) EPHX2PDE4DNPC1ALDH1A1SMN1; SMN2
SCHEMBL8339652 0.78 PARP10 (0.60) EPHX2LMNANPC1ALDH1A1RAB9A
SCHEMBL25002925 0.78 NPC1 (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25002923 0.78 FDPS (0.44) FDPSLMNAPDE4DNPC1ALDH1A1
SCHEMBL27237434 0.78 MAPT (0.52) KDM4ELMNANPC1ALDH1A1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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