SCHEMBL11048701

SCHEMBL11048701

COC(=O)C1=C(NC(=O)Nc2ccccc2)CSC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ MAPK14 Q16539 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.45

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
SCHEMBL6349888 0.73 MAPT (0.49) MAPTKDM4EKMT2ALMNATSHR
SCHEMBL4112603 0.72 MEN1 (0.75) MAPTKDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL17851574 0.70 MAPT (0.41) MAPTKDM4EKMT2ASMN1; SMN2TSHR
Diphenylurea SCHEMBL133103 0.70 SMN1; SMN2 (1.00) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL16127717 0.68 KDM4E (0.72) MAPTKDM4EKMT2ASMN1; SMN2MEN1
Diphenylurea SCHEMBL3037927 0.68 SMN1; SMN2 (0.94) MAPTKMT2ASMN1; SMN2MEN1LMNA
Diphenylurea SCHEMBL30786615 0.68 SMN1; SMN2 (0.94) MAPTKMT2ASMN1; SMN2MEN1LMNA
Diphenylurea SCHEMBL28431956 0.68 SMN1; SMN2 (0.94) MAPTKMT2ASMN1; SMN2MEN1LMNA
Diphenylurea SCHEMBL29392345 0.68 SMN1; SMN2 (0.94) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL11059378 0.68 SMN1; SMN2 (0.94) MAPTKMT2ASMN1; SMN2MEN1LMNA

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-4437878-A Dihydrothiophenecarboxylates and their use for controlling undersirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 — — US disclosed
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