SCHEMBL9139657

SCHEMBL9139657

CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccccc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 9/20 0.69
▸ LMNA P02545 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41

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
SCHEMBL9139088 0.91 P4HTM (0.72) P4HTMLMNAPTPN1GABRA5MAPT
SCHEMBL9142963 0.89 P4HTM (0.55) P4HTMLMNAPTPN1GABRA5MAPT
SCHEMBL9140452 0.88 P4HTM (0.53) P4HTMLMNAPTPN1GABRA5MAPT
SCHEMBL9018572 0.88 P4HTM (0.77) P4HTMPTPN1ALDH1A1NPC1RAB9A
SCHEMBL9143052 0.87 P4HTM (0.52) P4HTMLMNAPTPN1GABRA5MAPT
SCHEMBL9140278 0.87 P4HTM (0.52) P4HTMLMNAPTPN1GABRA5MAPT
SCHEMBL8869393 0.87 P4HTM (0.63) P4HTMPTPN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9139661 0.84 P4HTM (0.72) P4HTMLMNAPTPN1ALDH1A1SMN1; SMN2
SCHEMBL9137797 0.84 P4HTM (0.66) P4HTMLMNA
SCHEMBL9140658 0.83 GABRA5 (0.49) P4HTMPTPN1GABRA5MAPTALDH1A1

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 — — US disclosed
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