SCHEMBL30824248

SCHEMBL30824248

O=C(O)c1cnc2c(-c3cccc(Cl)c3Cl)nccc2c1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.47
▸ PKM P14618 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ ATRIP Q8WXE1 1/20 0.41
▸ PIK3C2B O00750 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20600323 1.00 CNR2 (0.47) CNR2PKMMEN1KMT2AUSP2
SCHEMBL20622076 0.86 PKM (0.65) PKMMEN1KMT2AUSP2TP53
SCHEMBL29440679 0.81 CNR2 (0.37) CNR2PKMMEN1KMT2AUSP2
SCHEMBL22734636 0.81 CNR2 (0.37) CNR2PKMMEN1KMT2AUSP2
SCHEMBL20600367 0.81 MEN1 (0.47) PKMMEN1KMT2AUSP2TP53
SCHEMBL30824251 0.81 MEN1 (0.47) PKMMEN1KMT2AUSP2TP53
SCHEMBL29438262 0.80 P2RX7 (0.38) CNR2PKMMEN1KMT2AUSP2
SCHEMBL21875798 0.80 P2RX7 (0.38) CNR2PKMMEN1KMT2AUSP2
SCHEMBL20621805 0.80 P2RX7 (0.38) CNR2PKMMEN1KMT2AUSP2
SCHEMBL29714498 0.78 CNR2 (0.47) CNR2PKMMEN1KMT2ACNR1

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-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 — — CN disclosed
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