SCHEMBL9449446

SCHEMBL9449446

O=C1Cc2ccc(C(=O)CBr)cc2SN1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.40
▸ GSK3B P49841 11/20 0.38
▸ TDP2 O95551 2/20 0.35
▸ GNG2 P59768 1/20 0.35
▸ GNB1 P62873 1/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL27528567 0.86 ATM (0.40) TDP2EPHX2
SCHEMBL9449454 0.81 MAPT (0.49) TDP2
SCHEMBL8923640 0.77 TSHR (0.35) TDP2EPHX2
SCHEMBL27362455 0.74 TDP2 (0.34) TDP2
SCHEMBL27532024 0.73 PKM (0.43) EPHX2PARP1
SCHEMBL27357288 0.72 TDP2 (0.30) TDP2
SCHEMBL2306726 0.72 EPHX2 (0.59) EPHX2
SCHEMBL9437729 0.71 PTPN1 (0.40) PTPN1GSK3BTDP2GNG2GNB1
SCHEMBL15106223 0.70 NPC1 (0.58) PTPN1GSK3BGNG2GNB1
SCHEMBL8786235 0.70 MAOB (0.56) EPHX2

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-5234924-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-08-10 — — US disclosed
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