SCHEMBL11270045

SCHEMBL11270045

C=CCOC(=S)C(C)Oc1ccc(-c2ncc(Cl)cc2Cl)cc1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
THRB P10828 1/20 0.30
HTT P42858 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
SCHEMBL11263644 0.87 KDM4E (0.34) L3MBTL1SMN1; SMN2CNR2GAATSHR
SCHEMBL11263013 0.86 L3MBTL1 (0.34) L3MBTL1SMN1; SMN2CNR2GAATSHR
SCHEMBL11147539 0.85 CNR2 (0.35) L3MBTL1SMN1; SMN2CNR2GAATSHR
SCHEMBL11260667 0.84 L3MBTL1 (0.32) L3MBTL1SMN1; SMN2CNR2ALDH1A1KDM4E
SCHEMBL10791367 0.84 L3MBTL1 (0.32) L3MBTL1SMN1; SMN2CNR2ALDH1A1KDM4E
SCHEMBL11263454 0.82 ADORA2A (0.35) L3MBTL1CNR2HPGDALDH1A1KDM4E
SCHEMBL11277148 0.82 L3MBTL1 (0.34) L3MBTL1SMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL11155049 0.82 L3MBTL1 (0.34) L3MBTL1SMN1; SMN2GAATSHRHPGD
SCHEMBL6732935 0.80 TSHR (0.47) L3MBTL1SMN1; SMN2GAATSHRHPGD
SCHEMBL9763694 0.80 TSHR (0.47) L3MBTL1SMN1; SMN2GAATSHRHPGD

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-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed