SCHEMBL9725616

SCHEMBL9725616

O=C(Sc1ccccc1Cl)N(CC=CCl)CC=CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TERT O14746 1/20 0.39
POLB P06746 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HPGD P15428 6/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPRG P23470 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL9725653 0.80 FFAR1 (0.35) POLBRAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL10824330 0.72 IDO1 (0.47) IDO1TERTPOLBHSD17B10GAA
SCHEMBL8536411 0.68 IDO1 (0.54) IDO1TERTPOLBHSD17B10GAA
SCHEMBL9725734 0.65
SCHEMBL28469527 0.65 CA12 (0.57) IDO1TERTPOLBHSD17B10GAA
SCHEMBL11443067 0.65 TP53 (0.39) IDO1HSD17B10PKMKDM4EHPGD
SCHEMBL9725655 0.64
SCHEMBL10672862 0.63 HPGD (0.36) HPGDALDH1A1CYP1A2
SCHEMBL10672868 0.63 HPGD (0.36) HPGDALDH1A1CYP1A2
SCHEMBL9725620 0.63

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-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US claimed
US-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
EP-0175332-B1 HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE STAUFFER CHEMICAL COMPANY (US) 1992-03-18 EP disclosed