SCHEMBL9713423

SCHEMBL9713423

CCCCCCC1=CC(=O)c2cc(Cl)ccc2C1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
PPARG P37231 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
HSP90AA1 P07900 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 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
SCHEMBL15732985 0.81 PTPN1 (0.63) PTPN1ACHEBACE1S100A4STAT3
SCHEMBL15732974 0.81 PTPN1 (0.63) PTPN1ACHEBACE1S100A4STAT3
SCHEMBL15733081 0.81 PTPN1 (0.63) PTPN1ACHEBACE1S100A4STAT3
SCHEMBL15732809 0.81 PTPN1 (0.63) PTPN1ACHEBACE1S100A4STAT3
SCHEMBL15732933 0.81 PTPN1 (0.63) PTPN1ACHEBACE1S100A4STAT3
SCHEMBL15732842 0.80 PTPN1 (0.60) PTPN1ACHEBACE1S100A4CNR1
SCHEMBL10503501 0.77 S100A4 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15733045 0.75 PTPN1 (0.54) PTPN1MEN1GAAHPGDKMT2A
SCHEMBL9627995 0.74 S100A4 (0.44) PTPN1HSP90AA1MEN1HTTKMT2A
SCHEMBL9713840 0.71 S100A4 (0.44) PTPN1HSP90AA1MEN1GAAHPGD

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed