SCHEMBL30980945

SCHEMBL30980945

COc1ccc(N2CCCOC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
KDM1A O60341 3/20 0.43
AKR1C3 P42330 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MGLL Q99685 1/20 0.42
GRM2 Q14416 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOX4 Q9NPH5 1/20 0.41
LMNA P02545 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL588897 0.90 MAPK10 (0.48) POLBRAB9ANPC1PKMAKR1C3
SCHEMBL8303458 0.81 DGAT1 (0.43) RAB9ANPC1PKMKDM1AAKR1C3
SCHEMBL1997842 0.81 F10 (0.61) POLBRAB9ANPC1PKMMAPT
SCHEMBL4414346 0.80 DDB1 (0.43) POLBRAB9ANPC1KDM1AGRM2
SCHEMBL15628295 0.78 TNKS (0.40) KDM1AAKR1C3MGLLALDH1A1
SCHEMBL29348768 0.78 BCL2 (0.41) KDM1AAKR1C3MGLLMEN1KMT2A
SCHEMBL991958 0.78 MEN1 (0.50) RAB9ANPC1KDM1AMAPTMEN1
SCHEMBL30980982 0.77 PIK3CA (0.44) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL5800891 0.77 PIK3CA (0.43) POLBMAPK10
SCHEMBL609306 0.75 TP53 (0.59) POLBNPC1MAPTMEN1KMT2A

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-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed