SCHEMBL9626102

SCHEMBL9626102

N#Cc1cccc(CSCCCCCl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.42
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL28448952 0.82 DAO (0.51) DAOMRGPRX4CDC7DBF4HRH3
SCHEMBL15023264 0.80 KIF11 (0.49) DAOCDC7DBF4HRH3GSK3A
SCHEMBL30429240 0.77 MRGPRX4 (0.48) MRGPRX4SCN8AHRH3FOLH1GLA
SCHEMBL9626110 0.76 TP53 (0.48) DAOCDC7DBF4TP53ALDH1A1
SCHEMBL7391468 0.75 CYP2C19 (0.50) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL7388300 0.73 CYP2C19 (0.48) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL6011460 0.73 GLS (0.50) DAOMRGPRX4SCN8AHRH3GLA
SCHEMBL9626741 0.73 HTR2A (0.46) DAOCDC7DBF4EPHX1MAPT
SCHEMBL18405 0.73 GLA (0.50) DAOMRGPRX4HRH3GSK3BFOLH1
SCHEMBL29386535 0.73 GLA (0.50) DAOMRGPRX4HRH3GSK3BFOLH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326297-B1 THIOFORMAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1992-03-18 — — EP disclosed
US-4959385-A MUSCLE RELAXANTS MAY & BAKER LIMITED (GB) 1990-09-25 — — US disclosed
EP-0326297-A1 Thioformamide derivatives MAY & BAKER LIMITED (GB) 1989-08-02 — — EP disclosed
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