SCHEMBL23792330

SCHEMBL23792330

CC(C)CNc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.37
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ FBP1 P09467 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ BRAF P15056 2/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35

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
SCHEMBL23792344 0.90 RAB9A (0.39) NPC1LMNAPOLBRAB9APTGDR2
SCHEMBL23782532 0.86 POLB (0.42) NPC1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL18282064 0.86 LMNA (0.42) NPC1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL23782388 0.86 NPC1 (0.41) NPC1LMNAPOLBRAB9APTGDR2
SCHEMBL30173718 0.86 NPC1 (0.41) NPC1LMNAPOLBRAB9APTGDR2
SCHEMBL30173771 0.85 PTGDR2 (0.53) NPC1LMNARAB9APTGDR2ESR1
SCHEMBL23782514 0.85 PTGDR2 (0.53) NPC1LMNARAB9APTGDR2ESR1
SCHEMBL23791891 0.84 NPC1 (0.40) NPC1LMNAPOLBRAB9APTGDR2
SCHEMBL26240299 0.83 GRN (0.40) NPC1LMNAPOLBRAB9APTGDR2
SCHEMBL23792015 0.82 GRN (0.40) NPC1LMNAPOLBRAB9APTGDR2

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-2021178488-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-09-10 — — WO disclosed
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