SCHEMBL30530104

SCHEMBL30530104

Cc1cc(F)ccc1Oc1ccccc1C(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ SCN8A Q9UQD0 2/20 0.51
▸ SCN10A Q9Y5Y9 2/20 0.51
▸ KCNK3 O14649 2/20 0.50
▸ KCNK9 Q9NPC2 2/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL29062038 1.00 KMT2A (0.53) KMT2AMEN1SCN8ASCN10AKCNK3
SCHEMBL25376167 0.92 KMT2A (0.51) KMT2AMEN1SCN8ASCN10AKCNK3
SCHEMBL30530084 0.90 SCN8A (0.52) SCN8ASCN10A
SCHEMBL20638927 0.90 SCN8A (0.52) SCN8ASCN10A
SCHEMBL30530113 0.90 SCN8A (0.65) SCN8ASCN10A
SCHEMBL25374701 0.90 SCN8A (0.65) SCN8ASCN10A
SCHEMBL25373808 0.89 SCN8A (0.66) SCN8ASCN10A
SCHEMBL30530070 0.89 SCN8A (0.66) SCN8ASCN10A
SCHEMBL20644112 0.88 SCN8A (0.66) SCN8ASCN10A
SCHEMBL31606706 0.88 SCN8A (0.50) SCN8ASCN10AKCNK3KCNK9

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-116655497-B Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2025-06-03 — — CN disclosed
CN-116655497-A Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2023-08-29 — — CN disclosed
Send feedback