SCHEMBL11577650

SCHEMBL11577650

OP(O)(=S)Oc1ccc(Sc2ncccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
DRD1 P21728 1/20 0.35
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 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
SCHEMBL11577647 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL11577596 0.83 DRD1 (0.38) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL11576696 0.75 L3MBTL1 (0.53) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30416662 0.75 NR1H2 (0.39) HPGDCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL28040765 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL11577742 0.70 L3MBTL1 (0.33) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11577590 0.70 DRD1 (0.39) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL5822931 0.66 MEN1 (0.50) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11579354 0.63 HAO1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8125018 0.63 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4080443-A (Substituted pyridyl)phenoxy phosphorous compounds and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1978-03-21 US claimed