SCHEMBL24536033

SCHEMBL24536033

N#Cc1ccc(CCC(=O)c2ccc(C(Cl)Cl)cc2)nn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 6/20 0.33
▸ USP5 P45974 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ DHFR P00374 1/20 0.30

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
SCHEMBL24536032 0.80 MEN1 (0.53) MEN1KMT2ANPC1RAB9A
SCHEMBL21424098 0.71 PANK3 (0.37) PANK3MEN1KMT2A
SCHEMBL24536034 0.68 PANK3 (0.34) PANK3
SCHEMBL30942641 0.67 TKT (0.33) HSD11B1
SCHEMBL26501786 0.66 RAB9A (0.36) USP5GSK3BNPC1RAB9A
SCHEMBL21424018 0.66 PANK3 (0.41) PANK3KMT2A
SCHEMBL24535612 0.65 PANK3 (0.46) PANK3MEN1KMT2ARAB9A
SCHEMBL11436465 0.64 ALDH1A1 (0.50) USP5MEN1KMT2AGSK3BNPC1
SCHEMBL16832891 0.63 EGLN2 (0.33) —
SCHEMBL21424037 0.63 PANK3 (0.41) PANK3MEN1KMT2ANPC1RAB9A

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-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 — — WO disclosed
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