SCHEMBL19259040

SCHEMBL19259040

CS(C)(C)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.50
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
PKM P14618 2/20 0.44
CYP1A2 P05177 1/20 0.44
MCOLN3 Q8TDD5 3/20 0.44
TSHR P16473 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PKLR P30613 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 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
SCHEMBL22960089 0.93 L3MBTL1 (0.48) LMNAL3MBTL1ATMCYP2A6TDP1
SCHEMBL758323 0.81 ATM (0.66) LMNAL3MBTL1ATMF2PRSS1
SCHEMBL25932918 0.78 CYP2A6 (0.62) LMNACYP2A6TDP1PKMCYP1A2
SCHEMBL8243698 0.78 LMNA (0.59) LMNAL3MBTL1ATMTDP1F2
SCHEMBL2611773 0.78 LMNA (0.59) LMNAL3MBTL1ATMTDP1F2
SCHEMBL29800886 0.78 LMNA (0.59) LMNAL3MBTL1ATMTDP1F2
SCHEMBL2286348 0.78 LMNA (0.59) LMNAL3MBTL1ATMTDP1F2
SCHEMBL18782754 0.78 CA1 (0.44) LMNAL3MBTL1ATMCYP2A6TDP1
SCHEMBL21830632 0.76 L3MBTL1 (0.34) LMNAL3MBTL1ATM
SCHEMBL20381934 0.76 CYP2A6 (0.50) LMNAL3MBTL1CYP2A6PKMMEN1

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-2017136466-A1 HEME PROTEIN CATALYSTS FOR CARBON-SILICON BOND FORMATION IN VITRO AND IN VIVO CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-10 WO disclosed