SCHEMBL10712552

SCHEMBL10712552

COC(=O)c1cc(C(C)C)sc1N=C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.37
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 5/20 0.34
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL10714402 0.85 GAA (0.43) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL10710912 0.80 CNR2 (0.43) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL10713757 0.77 ALDH1A1 (0.48) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL3242997 0.77 RAF1 (0.38) RAF1MAPTGAAALDH1A1HPGD
SCHEMBL2775989 0.76 GAA (0.53) RAF1MAPTGAAALDH1A1HPGD
SCHEMBL13735013 0.74 RAF1 (0.42) RAF1MAPTGAAALDH1A1HPGD
SCHEMBL10717074 0.73 ALDH1A1 (0.64) MAPTGAAALDH1A1HPGDMEN1
SCHEMBL22775050 0.73
SCHEMBL31305721 0.71 RAF1 (0.45) RAF1MAPTGAAALDH1A1HPGD
SCHEMBL10706597 0.69 KMT2A (0.45) MAPTALDH1A1MEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 EP disclosed