SCHEMBL9737336

SCHEMBL9737336

COC(=O)C(=CSC)c1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
CTNNB1 P35222 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPK8 P45983 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL9737329 1.00 RAB9A (0.49) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL9737326 1.00 RAB9A (0.49) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL6932848 0.85 CTNNB1 (0.54) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL29358669 0.83 CTNNB1 (0.51) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL203716 0.83 CTNNB1 (0.51) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL6932850 0.83 CTNNB1 (0.51) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL29078337 0.81 RAB9A (0.49) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL9150477 0.77 RAB9A (0.46) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL9150478 0.77 RAB9A (0.46) RAB9ACTNNB1MEN1KMT2AALDH1A1
SCHEMBL6935927 0.77 CTNNB1 (0.59) RAB9ACTNNB1MEN1KMT2AALDH1A1

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