SCHEMBL31190867

SCHEMBL31190867

CCOP(=S)(OCC)Oc1cc(C)nc(CCCC(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 4/20 0.51
MAPT P10636 5/20 0.43
MAPK1 P28482 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
KDM4E B2RXH2 5/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL31190871 0.89 TSHR (0.51) ALDH1A1TSHRHSD17B10CYP3A4TP53
Pyrimitate SCHEMBL9815389 0.81 TDP1 (0.61) ALDH1A1TSHRHSD17B10CYP3A4TP53
SCHEMBL11636423 0.75 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP3A4TP53
Dimpylate SCHEMBL16013540 0.72 ALDH1A1 (0.83) ALDH1A1TSHRHSD17B10CYP3A4TP53
Dimpylate SCHEMBL28276693 0.72 ALDH1A1 (0.87) ALDH1A1TSHRHSD17B10CYP3A4TP53
Dimpylate SCHEMBL27861740 0.71 ALDH1A1 (0.85) ALDH1A1TSHRHSD17B10CYP3A4TP53
SCHEMBL11637208 0.69 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10CYP3A4TP53
Dimpylate SCHEMBL27440593 0.69 ALDH1A1 (0.87) ALDH1A1TSHRHSD17B10CYP3A4TP53
Pyrimitate SCHEMBL27932877 0.69 TDP1 (0.68) ALDH1A1TSHRHSD17B10CYP3A4TP53
Pyrimitate SCHEMBL118072 0.69 TDP1 (0.77) ALDH1A1TSHRHSD17B10CYP3A4TP53

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
CN-118834834-A Hybridoma cell strain secreting diazinon monoclonal antibody and application 江南大学 2024-10-25 CN disclosed