SCHEMBL31490802

SCHEMBL31490802

Oc1nc2ncccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.62
PDE5A O76074 3/20 0.59
METAP1 P53582 2/20 0.55
METAP2 P50579 1/20 0.55
TP53 P04637 4/20 0.51
HPGD P15428 3/20 0.49
AURKA O14965 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPSE Q9Y251 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
BACE1 P56817 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL239645 1.00 NUDT1 (0.62) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL1170747 0.80 METAP1 (0.72) NUDT1PDE5AMETAP1METAP2AURKA
SCHEMBL939186 0.79 NUDT1 (0.53) NUDT1PDE5AMETAP1METAP2HPGD
SCHEMBL27832091 0.78 PDE10A (0.57) NUDT1PDE5AMETAP1METAP2HPGD
SCHEMBL24520478 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL805045 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL620579 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL323981 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL21389521 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53
SCHEMBL6962055 0.77 NUDT1 (0.60) NUDT1PDE5AMETAP1METAP2TP53

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-119409690-A Novel insect repellent compound 拜耳动物保健有限责任公司 2025-02-11 CN disclosed