SCHEMBL9471997

SCHEMBL9471997

CSc1nc(NCc2ccc(Cl)cc2)n(C(=S)S)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
F2 P00734 3/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 4/20 0.40
KLKB1 P03952 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL9278446 0.88 RAB9A (0.44) RAB9AF2KMT2ASMN1; SMN2NPC1
SCHEMBL9473324 0.74 CYP11B2 (0.53) KMT2ASMN1; SMN2MEN1HTTKDM4E
SCHEMBL8315909 0.73 F2 (0.40) RAB9AF2KMT2ASMN1; SMN2NPC1
SCHEMBL9281018 0.67 CYP11B2 (0.50) KMT2ASMN1; SMN2MEN1HTTGAA
SCHEMBL11495696 0.64 MEN1 (0.59) KMT2ASMN1; SMN2MEN1GAACYP2C9
SCHEMBL2566513 0.60 MAPT (0.80) RAB9AF2KMT2ASMN1; SMN2MEN1
SCHEMBL30724582 0.59 LMNA (0.49) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL21617383 0.59 LMNA (0.49) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL11866701 0.57 CA12 (0.62) KDM4E
SCHEMBL11168314 0.57 L3MBTL1 (0.44) RAB9AKMT2ANPC1MEN1HTT

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-5225410-A Antiangina, antiulcer agents EGIS GYOGYSZERGYAR (HU) 1993-07-06 US disclosed