SCHEMBL29294352

SCHEMBL29294352

OBOc1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 3/20 0.34
ALOX5 P09917 3/20 0.34
APP P05067 1/20 0.33
CETP P11597 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
LTC4S Q16873 1/20 0.33
MTNR1A P48039 3/20 0.33

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
SCHEMBL18776350 1.00 MAPT (0.35) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL26815485 0.93 KDM4E (0.33) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL16218705 0.92 L3MBTL1 (0.36) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL26815533 0.91 HSD17B1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14806752 0.87 ALDH1A1 (0.39) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL25982194 0.85 L3MBTL1 (0.41) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL18776353 0.85 NPC1 (0.38) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL12872048 0.85 NPC1 (0.38) MAPTTDP1KDM4EALDH1A1CYP1A2
SCHEMBL15626513 0.81 RXRA (0.44) MAPTTDP1CYP3A4CYP2C9ALOX5
SCHEMBL18859334 0.81 ESR1 (0.41) MAPTTDP1KDM4EALDH1A1CYP1A2

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
US-20240237518-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-07-11 US disclosed