SCHEMBL31190874

SCHEMBL31190874

CCOC(=O)CCCc1nc(C)cc(O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TNF P01375 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
ABL1 P00519 1/20 0.40
PKM P14618 1/20 0.40
RIN1 Q13671 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
TOP2A P11388 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39

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
SCHEMBL3281922 0.77 HTT (0.41) KDM4EPKMSMN1; SMN2ALDH1A1HPGD
SCHEMBL31190871 0.76 TSHR (0.51) CYP1A2KDM4ETNFCYP4F2CYP4A11
SCHEMBL9843905 0.73 HTT (0.38) ALDH1A1HPGD
SCHEMBL941980 0.73 CYP4F2 (0.49) CYP1A2TNFCYP4F2CYP4A11SMN1; SMN2
SCHEMBL2033883 0.70 CYP1A2 (0.43) CYP1A2CYP4F2CYP4A11SMN1; SMN2ALDH1A1
SCHEMBL4288745 0.69 HTT (0.41) KDM4EALDH1A1TSHR
SCHEMBL21174188 0.69 CA12 (0.47) CYP1A2KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL27033789 0.69 CYP4F2 (0.46) CYP1A2KDM4ETNFCYP4F2CYP4A11
SCHEMBL12590777 0.69 CYP1A2 (0.46) CYP1A2KDM4ETNFCYP4F2CYP4A11
SCHEMBL11837828 0.69 ALOX15 (0.56) KDM4EALDH1A1HPGDTSHRPTGS2

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