SCHEMBL24825968

SCHEMBL24825968

c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cccc5c4ccc4c6ccccc6oc54)cc3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
PRKDC P78527 1/20 0.33
CYP1A2 P05177 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL24825973 0.96 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL24825476 0.94 ALOX5 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL26057100 0.94 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL24963142 0.93 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL27046706 0.92 ALOX5 (0.45) ALOX5CA12CA1CA2CA9
SCHEMBL24825967 0.92 ALOX5 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL24825475 0.92 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL24826546 0.92 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL24825481 0.91 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL26490556 0.91 ALOX5 (0.39) ALOX5CA12CA1CA2CA9

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-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed