SCHEMBL9736970

SCHEMBL9736970

COC(=O)C(=CSC)c1ccccc1CCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SLC6A5 Q9Y345 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ADRB2 P07550 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9736965 1.00 KMT2A (0.45) KMT2ALMNAPLA2G1BATG4BALDH1A1
SCHEMBL9736591 0.85 KMT2A (0.46) KMT2ALMNAPLA2G1BATG4BALDH1A1
SCHEMBL9736585 0.85 KMT2A (0.46) KMT2ALMNAPLA2G1BATG4BALDH1A1
SCHEMBL7684480 0.79 ALDH1A1 (0.40) KMT2ALMNAALDH1A1HTTKDM4E
SCHEMBL9736576 0.78 HPGD (0.42) ALDH1A1HTTMAPTKDM4E
SCHEMBL9736571 0.78 HPGD (0.42) ALDH1A1HTTMAPTKDM4E
SCHEMBL10654355 0.77 ALDH1A1 (0.52) KMT2ALMNAALDH1A1SCN1ASCN2A
SCHEMBL7165118 0.75 ALDH1A1 (0.50) KMT2ALMNAALDH1A1SCN1ASCN2A
SCHEMBL10654350 0.75 ALDH1A1 (0.50) KMT2ALMNAALDH1A1SCN1ASCN2A
SCHEMBL6936259 0.75 ALDH1A1 (0.50) KMT2ALMNAALDH1A1SCN1ASCN2A

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-5145954-A Fungicides, insecticides, plant growth regualtors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-08 US disclosed
EP-0244077-A1 Sulphides derived from substituted phenyl-2-acrylic acid IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-11-04 EP disclosed