SCHEMBL8343603

SCHEMBL8343603

COC(=O)c1sc(-c2sc(-c3ccc(Cl)cc3)nc2C)nc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ RAB9A P51151 5/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ POLB P06746 1/20 0.63
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 8/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ XDH P47989 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NFKB1 P19838 1/20 0.53

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
SCHEMBL8339292 0.93 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL8345831 0.85 RAB9A (0.86) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL12402761 0.82 RAB9A (0.69) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL28931086 0.81 TRPM8 (0.58) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL10237187 0.81 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL2885708 0.80 TRPM8 (0.78) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL8345120 0.80 MAPT (0.57) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL8339659 0.79 TRPM8 (0.73) SMN1; SMN2RAB9ANPC1KDM4EGAA
SCHEMBL5255659 0.79 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL2069278 0.78 RAB9A (1.00) SMN1; SMN2RAB9ANPC1KDM4EPOLB

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
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 — — US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 — — EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 — — WO disclosed
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