SCHEMBL9714195

SCHEMBL9714195

CCS.S=C(S)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ MGLL Q99685 3/20 0.56
▸ LMNA P02545 2/20 0.50
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL319904 0.92 MGLL (0.61) ALDH1A1MGLLLMNACA12CA1
SCHEMBL8727074 0.90 MGLL (0.55) ALDH1A1MGLLLMNACA12CA1
SCHEMBL29057842 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL28815761 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL28815435 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL28773587 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL17223798 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL7875605 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL22638105 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1
SCHEMBL19834325 0.90 MGLL (0.59) ALDH1A1MGLLLMNACA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4091145-A — — None — — JP disclosed
JP-H0491145-A SIDEWALL OF MOTOR VEHICLE TIRE HUELS AG 1992-03-24 — — JP disclosed
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