SCHEMBL23268090

SCHEMBL23268090

CCOc1cc2cc([N+](=O)[O-])ccc2n(C(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CYP19A1 P11511 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ NPBWR1 P48145 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ RPS6KA2 Q15349 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ GNRHR P30968 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL27426994 0.86 MEN1 (0.42) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL29873912 0.86 TDP1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL23250124 0.86 TDP1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL21787570 0.83 MAPT (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL23267876 0.80 BRPF1 (0.41) KMT2AMEN1MAPTALDH1A1CNR2
SCHEMBL21787680 0.78 MEN1 (0.50) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL23045577 0.75 NOD2 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL31383470 0.75 NOD2 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL21774717 0.71 CYP1A2 (0.55) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL28561811 0.71 CYP19A1 (0.47) KMT2AMEN1CYP1A2MAPTALDH1A1

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-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 — — WO disclosed
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