SCHEMBL25070428

SCHEMBL25070428

CCCCC(CC)CCc1ccc(-c2cc3sc(-c4cnc(-c5ccc(C)cc5F)c5nsnc45)cc3s2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL25070312 0.87 — —
SCHEMBL25070598 0.85 — —
SCHEMBL25070322 0.84 — —
SCHEMBL29332167 0.84 SMN1; SMN2 (0.32) POLBSMN1; SMN2
SCHEMBL25070459 0.82 RARB (0.32) —
SCHEMBL25070449 0.81 — —
SCHEMBL25070520 0.81 RARB (0.32) —
SCHEMBL25070570 0.80 KDM4E (0.30) MAPK1
SCHEMBL16265269 0.79 ESR1 (0.32) SMN1; SMN2
SCHEMBL25070673 0.79 — —

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-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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