SCHEMBL8619562

SCHEMBL8619562

CC[Sn](CC)(CC)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK1 Q15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTR7 P34969 1/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
PDPK1 O15530 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL42407 0.79 FBP1 (0.43) FBP1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL1771799 0.75
SCHEMBL6410067 0.73 FBP1 (0.38) FBP1PDK1L3MBTL1
SCHEMBL1986516 0.65
Alcohol SCHEMBL20815979 0.65
SCHEMBL5507 0.64
SCHEMBL155115 0.64
Ammonia Solution, Strong SCHEMBL2911520 0.62
Water SCHEMBL9764760 0.62
Hydrochloric Acid SCHEMBL7267735 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719171-A INSECTICIDES; MITICIDES; NEMATOCIDES; FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0621277-A2 Diarylderivatives and their use for the protection of plants BASF Aktiengesellschaft (DE) 1994-10-26 EP disclosed