SCHEMBL26229447

SCHEMBL26229447

CCc1ccc2c(NC(=O)CC(C)(C)C)ncnn12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 7/20 0.38
▸ KCNQ2 O43526 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL26235125 0.75 SMN1; SMN2 (0.38) SMN1; SMN2HTTHSD17B10MAPTMEN1
SCHEMBL26200121 0.70 KDR (0.47) SMN1; SMN2HTTHPGDHSD17B10MAPT
SCHEMBL26200122 0.68 EGFR (0.44) SMN1; SMN2HTTRAB9AHPGDNPC1
SCHEMBL26545444 0.68 TSHR (0.44) HTTHPGDHSD17B10MAPTMEN1
SCHEMBL24942298 0.67 MEN1 (0.35) SMN1; SMN2HTTRAB9AMAPTGAA
SCHEMBL26200123 0.67 DEGS1 (0.44) SMN1; SMN2HTTRAB9ANPC1GAA
SCHEMBL26545442 0.65 HTT (0.42) SMN1; SMN2HTTRAB9AHPGDNPC1
SCHEMBL26206072 0.65 KDR (0.47) SMN1; SMN2HPGD
SCHEMBL26200119 0.64 EGFR (0.52) SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL21879270 0.64 ALDH1A1 (0.57) SMN1; SMN2HTTRAB9AHPGDNPC1

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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