SCHEMBL23500618

SCHEMBL23500618

COC(=O)c1ncc2cccnc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL23500680 0.80 LMNA (0.56) ALOX15ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL31084231 0.77 ALOX15 (0.51) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL15655786 0.77 ALDH1A1 (0.45) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL3635127 0.75 KDM4E (0.65) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL26123183 0.73 ALOX15 (0.61) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL30427495 0.73 ALOX15 (0.61) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL247859 0.72 L3MBTL1 (0.48) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL3307271 0.72 ALOX15 (0.49) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL31345639 0.72 ALOX15 (0.49) ALOX15HTTALDH1A1L3MBTL1KDM4E
SCHEMBL28558680 0.72 ALOX15 (0.49) ALOX15HTTALDH1A1L3MBTL1KDM4E

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-2021115225-A1 PYRAZOLE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2021-06-17 — — WO disclosed
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