SCHEMBL30862194

SCHEMBL30862194

Fc1cc(/C=C/c2ccccc2)cc2c1cnn2C1CCCCS1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PDE9A O76083 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 1/20 0.30
▸ NFE2L2 Q16236 3/20 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
SCHEMBL29238197 1.00 SRC (0.35) SRCABL1PDE9ASMN1; SMN2HSP90AA1
SCHEMBL29238195 1.00 SRC (0.35) SRCABL1PDE9ASMN1; SMN2HSP90AA1
SCHEMBL29147605 0.79 CYP4F2 (0.42) SRCABL1PDE9ASMN1; SMN2HSP90AA1
SCHEMBL29147608 0.79 CYP4F2 (0.42) SRCABL1PDE9ASMN1; SMN2HSP90AA1
SCHEMBL30633933 0.79 CYP4F2 (0.42) SRCABL1PDE9ASMN1; SMN2HSP90AA1
SCHEMBL29238156 0.62 — —
SCHEMBL29921383 0.62 CYP4F2 (0.43) PDE9ASMN1; SMN2LMNAGAA
SCHEMBL28575619 0.62 CYP4F2 (0.43) PDE9ASMN1; SMN2LMNAGAA
SCHEMBL26685088 0.56 AHR (0.49) SMN1; SMN2HSP90AA1MAPK1GAA
SCHEMBL26685006 0.56 AHR (0.49) SMN1; SMN2HSP90AA1MAPK1GAA

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
CN-116964046-B PLK4 inhibitors and uses thereof 上海齐鲁制药研究中心有限公司 2024-04-19 — — CN disclosed
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