SCHEMBL30746804

SCHEMBL30746804

CN1C(=O)CC(Cc2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.45
TSHR P16473 4/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
BRD4 O60885 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29173755 1.00 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29249798 0.89 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL31092662 0.89 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL31092732 0.89 MAPK1 (0.40) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL29249841 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29249800 0.89 MAPK1 (0.40) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL31092711 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL31092698 0.86 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL29249783 0.86 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL31092712 0.85 TACR1 (0.44) KMT2AMEN1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN disclosed
CN-117510407-A Visible light catalyzed olefin hydrogenation and deuteration method 瑞博(苏州)制药有限公司 2024-02-06 CN disclosed