SCHEMBL10235342

SCHEMBL10235342

CCCCOc1cc(C#N)c2sc(NC(N)=O)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPK8 P45983 4/20 0.42
MAPK9 P45984 2/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 2/20 0.38
SCD O00767 1/20 0.38
XIAP P98170 1/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL1709528 0.87 ABL1 (0.46) LMNAMAPK8MAPK9SMN1; SMN2NPC1
SCHEMBL1682895 0.70 ABL1 (0.51) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL1709529 0.69 ABL1 (0.47) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL13562821 0.65 NPC1 (0.60) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL10237738 0.65 ABL1 (0.45) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11790355 0.64 ALDH1A1 (0.44) TSHRALDH1A1GAAHPGDL3MBTL1
SCHEMBL6831704 0.63 ALDH1A1 (0.75) ALDH1A1GAAL3MBTL1
SCHEMBL10937620 0.63 SMN1; SMN2 (0.68) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL15977059 0.62 PLA2G2A (0.57) TSHRSMN1; SMN2NPC1RAB9AGAA
SCHEMBL17414620 0.62 PLA2G2A (0.62) TSHRSMN1; SMN2NPC1RAB9AGAA

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
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed