SCHEMBL29575263

SCHEMBL29575263

COC(=O)c1ccccc1CN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
LMNA P02545 2/20 0.47
TSPO P30536 2/20 0.44
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK10 P53779 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
SLC1A5 Q15758 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
SCHEMBL19474955 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EALOX15HSD17B10TDP1
SCHEMBL29574888 0.81 SMN1; SMN2 (0.44) ALDH1A1KDM4EALOX15HSD17B10TDP1
SCHEMBL29574847 0.80 L3MBTL1 (0.49) ALDH1A1KDM4EALOX15HSD17B10TDP1
SCHEMBL19889041 0.78 MAPK1 (0.48) ALDH1A1KDM4EALOX15HSD17B10TDP1
SCHEMBL19878024 0.78 KDM4E (0.56) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL453426 0.77 APP (0.49) ALDH1A1KDM4EALOX15HSD17B10TDP1
SCHEMBL14369559 0.76 MAPT (0.47) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL14369560 0.76 SLC1A5 (0.49) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL16610081 0.76 SMN1; SMN2 (0.54) ALDH1A1TDP1MAPTSMN1; SMN2LIN28A
SCHEMBL29774122 0.76 SMN1; SMN2 (0.54) ALDH1A1TDP1MAPTSMN1; SMN2LIN28A

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-109952297-B Compound (I) 奥斯陆大学 2022-02-25 CN disclosed