SCHEMBL27046237

SCHEMBL27046237

CC(CNc1nc(-c2ccc(-c3cnco3)cc2)cs1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.43
▸ ACACB O00763 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL27045825 0.86 IMPDH2 (0.40) IMPDH2ACACBNAMPTAAK1RAB9A
SCHEMBL23628809 0.80 KMT2A (0.53) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL27045997 0.78 PTGS2 (0.50) AAK1RAB9AALDH1A1MEN1KMT2A
SCHEMBL27045508 0.77 PTGS2 (0.54) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL27045996 0.77 PTGS2 (0.41) IMPDH2ACACBAAK1RAB9AALDH1A1
SCHEMBL27045994 0.75 PTGS2 (0.42) AAK1RAB9AALDH1A1MEN1KMT2A
SCHEMBL27045351 0.70 HPGDS (0.35) ACACBAAK1RAB9AALDH1A1NPC1
SCHEMBL23628862 0.69 KMT2A (0.51) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL27049956 0.68 PTGS2 (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL1745328 0.68 MAPT (0.62) RAB9AALDH1A1MEN1KMT2ANPC1

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
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 — — EP disclosed
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