SCHEMBL11524092

SCHEMBL11524092

Cc1cccc(NC(O)=S)n1.NC(O)=S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
MEN1 O00255 5/20 0.68
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.53
GBA1 P04062 2/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GRM5 P41594 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CACNA1B Q00975 2/20 0.51
APBA1 Q02410 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
PLA2G1B P04054 1/20 0.51
ALOX12 P18054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
SORT1 Q99523 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL11524346 0.89 KMT2A (0.55) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL2483166 0.85 KMT2A (0.72) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL30070833 0.85 KMT2A (0.72) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL11524453 0.78 CHRNB2 (0.45) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL5034141 0.78 RAB9A (0.72) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL30509648 0.78 RAB9A (0.72) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL11524091 0.78 KMT2A (0.72) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL31725239 0.77 RAB9A (0.78) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL3119185 0.77 RAB9A (0.78) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL4327363 0.76 KMT2A (0.74) KMT2AMEN1RAB9ANPC1GBA1

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-4164579-A ANTI-ULCER AGENTS RHONE-POULENC INDUSTRIES (FR) 1979-08-14 US claimed
US-4167571-A Thiazoline derivatives RHONE-POULENC INDUSTRIES (FR) 1979-09-11 US disclosed
US-4164579-A ANTI-ULCER AGENTS RHONE-POULENC INDUSTRIES (FR) 1979-08-14 US disclosed