SCHEMBL31190871

SCHEMBL31190871

CCOC(=O)CCCc1nc(C)cc(OP(=S)(OCC)OCC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
ACHE P22303 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.37
ABL1 P00519 2/20 0.36
RIN1 Q13671 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL31190867 0.89 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4HSD17B10TP53
SCHEMBL29355963 0.81 TDP1 (0.64) TSHRALDH1A1CYP3A4HSD17B10TP53
SCHEMBL10109430 0.81 TDP1 (0.64) TSHRALDH1A1CYP3A4HSD17B10TP53
SCHEMBL31190874 0.76 CYP1A2 (0.41) TSHRALDH1A1CYP3A4KDM4EABL1
SCHEMBL13598792 0.72 ALDH1A1 (0.68) TSHRALDH1A1CYP3A4HSD17B10TP53
SCHEMBL435631 0.71 TDP1 (0.48) TSHRALDH1A1CYP3A4HSD17B10TP53
Dimpylate SCHEMBL28276693 0.71 ALDH1A1 (0.87) TSHRALDH1A1CYP3A4HSD17B10TP53
Pyrimitate SCHEMBL7870561 0.71 TDP1 (0.68) TSHRALDH1A1CYP3A4HSD17B10TP53
Dimpylate SCHEMBL6254636 0.70 ALDH1A1 (0.85) TSHRALDH1A1CYP3A4HSD17B10TP53
Dimpylate SCHEMBL27861740 0.70 ALDH1A1 (0.85) TSHRALDH1A1CYP3A4HSD17B10TP53

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