SCHEMBL29639199

SCHEMBL29639199

Cc1cc2nc(C(=O)c3ccccn3)c(C(=O)c3ccccn3)nc2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ P4HTM Q9NXG6 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ HSD17B14 Q9BPX1 1/20 0.47
▸ CTNNB1 P35222 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL8358162 0.78 L3MBTL1 (0.55) NPC1KDM4EKMT2ALMNANAPRT
SCHEMBL26194163 0.74 KMT2A (0.50) NPC1KDM4EKMT2ALMNANAPRT
SCHEMBL31369148 0.74 KMT2A (0.75) NPC1KDM4EKMT2ALMNANAPRT
SCHEMBL87791 0.74 KMT2A (0.75) NPC1KDM4EKMT2ALMNANAPRT
SCHEMBL26273482 0.74 KMT2A (0.48) NPC1KMT2ALMNANAPRTP4HTM
SCHEMBL10349453 0.73 LMNA (0.53) NPC1KDM4EKMT2ALMNANAPRT
SCHEMBL13161971 0.73 CTNNB1 (0.66) NPC1KDM4EKMT2ALMNANAPRT
Charcoal, Activated SCHEMBL8358164 0.72 KMT2A (0.72) NPC1KDM4EKMT2ALMNANAPRT
SCHEMBL31369119 0.72 KMT2A (0.72) NPC1KDM4EKMT2ALMNANAPRT
Water SCHEMBL6228901 0.72 KMT2A (0.72) NPC1KDM4EKMT2ALMNANAPRT

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-114437159-A Cyclic carbonate nucleoside compound and application thereof 佛山市晨康生物科技有限公司 2022-05-06 — — CN disclosed
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