SCHEMBL13586349

SCHEMBL13586349

C/C=C/c1ccc(-c2ccc(CCc3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.33
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL12821499 0.89 BRD4 (0.34) BRD4
SCHEMBL12822179 0.88 NPC1 (0.33) BRD4NPC1TP53PKMRAB9A
SCHEMBL12718531 0.81 BRD4 (0.33) BRD4
SCHEMBL12908031 0.81 BRD4 (0.36) BRD4
SCHEMBL12738884 0.81 NAAA (0.35) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL12821154 0.80 BRD4 (0.33) BRD4
SCHEMBL12823734 0.80 CHKA (0.33) —
SCHEMBL12822439 0.80 CHKA (0.33) —
SCHEMBL13586484 0.79 ALOX5AP (0.36) BRD4
SCHEMBL13586487 0.79 NPC1 (0.33) BRD4NPC1TP53PKMRAB9A

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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