SCHEMBL31447720

SCHEMBL31447720

COC(=O)c1ncc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.49
KDM4E B2RXH2 10/20 0.49
MAPT P10636 9/20 0.49
HPGD P15428 6/20 0.49
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
PDGFRA P16234 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
SCHEMBL4327194 0.83 MAPK1 (0.51) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL16473318 0.80 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL322528 0.78 DAPK3 (0.42) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL26693606 0.77 HSD17B10 (0.40) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL14738044 0.75 SSTR4 (0.43) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL29277572 0.75 TSHR (0.37) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL27921919 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL30982152 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL1931407 0.74 MAPT (0.43) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL1204348 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDRAB9A

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-119708015-A Heteroaryl compounds, intermediates, preparation and use thereof 杭州圣域生物医药科技有限公司 2025-03-28 CN disclosed