SCHEMBL9733818

SCHEMBL9733818

O=S(=O)(c1cccc(OCc2ccccc2)n1)N1CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HSD11B1 P28845 3/20 0.42
TSHR P16473 2/20 0.41
KAT8 Q9H7Z6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
CYP11B2 P19099 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
SCHEMBL9736020 0.90 L3MBTL1 (0.49) POLBHSD11B1TSHRL3MBTL1ALDH1A1
SCHEMBL9734732 0.82 PKM (0.40) KAT8L3MBTL1GRM5PKM
SCHEMBL9734839 0.79 CA1 (0.50) KAT8GRM5KDM4EALDH1A1PKM
SCHEMBL2524154 0.75 L3MBTL1 (0.52) TSHRL3MBTL1GRM5PKM
SCHEMBL9867413 0.75 TRPV3 (0.46) POLBTSHRKAT8L3MBTL1HPGD
SCHEMBL9735650 0.74 HSD11B1 (0.43) POLBHSD11B1TSHRALDH1A1PKM
SCHEMBL30440671 0.74 HRH4 (0.49) TSHRHPGDGRM5KDM4EALDH1A1
SCHEMBL17869373 0.74 HRH4 (0.49) TSHRHPGDGRM5KDM4EALDH1A1
SCHEMBL9866569 0.74 AR (0.51) POLBKAT8HPGD
SCHEMBL9865486 0.74 KMT2A (0.43) KAT8GRM5ALDH1A1

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-5137886-A Agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-11 US disclosed
EP-0433001-A1 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-19 EP disclosed