SCHEMBL24905756

SCHEMBL24905756

N#Cc1cccc2c1-c1c(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cccc1C21c2ccccc2Oc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SSTR2 P30874 1/20 0.32
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP30 Q70CQ3 2/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
ESR2 Q92731 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL24905506 0.97 HTT (0.33) HTTPDK2CYP11B1CYP11B2SSTR2
SCHEMBL24905752 0.97 PDK2 (0.33) HTTPDK2CYP11B1CYP11B2SSTR2
SCHEMBL24905505 0.96 PDK2 (0.34) HTTPDK2SSTR2KCNH2CYP1A2
SCHEMBL24905416 0.95 PDK2 (0.34) HTTPDK2SSTR2KCNH2CYP1A2
SCHEMBL21701708 0.95 PDK2 (0.36) HTTPDK2SSTR2CYP1A2CYP2C9
SCHEMBL21702147 0.91 MEN1 (0.36) HTTPDK2NPSR1GABRG2GABRB3
SCHEMBL24905471 0.90 MEN1 (0.36) HTTPDK2CYP11B1CYP11B2NPSR1
SCHEMBL24905484 0.90 GABRG2 (0.35) HTTPDK2NPSR1USP30GABRG2
SCHEMBL21702143 0.89 ESR2 (0.35) HTTPDK2CYP1A2CYP2C9CYP2C19
SCHEMBL24648138 0.88 ABCG2 (0.37) HTTPDK2GABRG2GABRB3GABRA5

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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed