SCHEMBL21670985

SCHEMBL21670985

Cc1ccc(C#CSc2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CA12 O43570 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ ACHE P22303 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29560906 0.90 VCP (0.44) GRM5ALDH1A1CA12CA2CA9
SCHEMBL24296678 0.78 ALDH1A1 (0.48) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL25767482 0.76 ACHE (0.40) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL9445826 0.74 GRM5 (0.64) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL4457730 0.74 GRM5 (0.64) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL9715647 0.72 GRM5 (0.61) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL7552481 0.71 APP (0.52) GRM5ALDH1A1CA12CA2CA9
SCHEMBL28355119 0.71 ALDH1A1 (0.50) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL10858546 0.70 ACHE (0.44) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL1119058 0.70 ACHE (0.44) ALDH1A1CYP2A6CA2CA9CA1

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-3080170-B1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS TRANSFERT PLUS SEC (CA) 2020-02-05 — — EP disclosed
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