SCHEMBL24802443

SCHEMBL24802443

COc1ncc(C)cc1CC(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SLC13A5 Q86YT5 2/20 0.45
SLC13A2 Q13183 1/20 0.45
SLC13A3 Q8WWT9 1/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TSHR P16473 2/20 0.40
ECE2 P0DPD6 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL24804840 0.85 GAA (0.44) POLBHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30148645 0.84 POLB (0.40) POLBHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL24804839 0.83 POLB (0.39) POLBHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL24802483 0.82 POLB (0.48) POLBHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL29180831 0.81 HPGD (0.39) POLBHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30148681 0.79 GRIN1 (0.38) POLBHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30148709 0.77 NR1I3 (0.38) POLBALDH1A1KDM4EGRIN1GRIN2B
SCHEMBL24804845 0.77 NR1I3 (0.38) POLBALDH1A1KDM4EGRIN1GRIN2B
SCHEMBL24804852 0.76 POLB (0.36) POLBHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL30148571 0.76 POLB (0.36) POLBHPGDSMN1; SMN2MEN1KMT2A

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
WO-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed