SCHEMBL19787851

SCHEMBL19787851

Cc1cc(F)c2nc(N)c(-c3ccccc3[S+](C)[O-])cc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL2717082 0.85 MGAM (0.32) MEN1NPC1RAB9AKMT2A
SCHEMBL19787865 0.75 ALOX5AP (0.44) MEN1KMT2A
SCHEMBL25006606 0.68 ALDH1A1 (0.35) MEN1NPC1RAB9AKMT2A
SCHEMBL25006241 0.68 KDM4E (0.32) —
SCHEMBL17549873 0.67 ATM (0.31) —
SCHEMBL17549519 0.67 MGAM (0.33) —
SCHEMBL2209672 0.63 NPC1 (0.38) NPC1RAB9A
SCHEMBL22509683 0.62 BACE1 (0.48) NPC1RAB9A
SCHEMBL514390 0.62 ACHE (0.42) —
SCHEMBL28779468 0.62 NPC1 (0.41) NPC1RAB9A

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
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 — — US disclosed
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