SCHEMBL11095327

SCHEMBL11095327

Cc1cc(C(S)C(=O)O)c(C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MCL1 Q07820 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
GRM1 Q13255 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CD44 P16070 1/20 0.33
GPR27 Q9NS67 2/20 0.33
PKM P14618 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL3138636 0.76 TSHR (0.49) MEN1KMT2ACYP1A2GRM1TDP1
SCHEMBL11091003 0.76 HTR2A (0.45) LMNAMEN1KMT2ACYP3A4TDP1
SCHEMBL11097763 0.73 HTR2B (0.38) MCL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL11872401 0.69 CA12 (0.45) LMNACA12CA1CA2CA9
SCHEMBL12297358 0.69 LMNA (0.59) LMNACA12CA1CA2CA9
SCHEMBL5842683 0.68 ATM (0.42) LMNAMCL1MEN1KMT2ATDP1
SCHEMBL5966930 0.68 CYP3A4 (0.47) CA1CA2MEN1KMT2ACYP1A2
SCHEMBL9159628 0.68 TSHR (0.47) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3151828 0.67 FFAR4 (0.40) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL11091138 0.67 ACP3 (0.46) MEN1KMT2ACYP1A2CYP3A4

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
US-4461911-A FROM THIOGLYCOLIC ACID AND AN ARYLDIAZONIUM SALT, COPPER SALT, ACID MEDIUM BAYER AKTIENGESELLSCHAFT (DE) 1984-07-24 US disclosed