SCHEMBL24638645

SCHEMBL24638645

N#Cc1ccc(-c2cc3c(cc2-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c2)Oc2ccccc2O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 14/20 0.44
▸ ABCB1 P08183 9/20 0.44
▸ ABCC1 P33527 4/20 0.40
▸ MYC P01106 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL22080452 0.93 ABCG2 (0.44) ABCG2ABCB1ABCC1MYCMEN1
SCHEMBL22080813 0.92 ABCG2 (0.46) ABCG2ABCB1ABCC1MYCMEN1
SCHEMBL22080788 0.90 ABCG2 (0.46) ABCG2ABCB1ABCC1MYCGABRA1
SCHEMBL22080981 0.88 CYP1A2 (0.47) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL22080472 0.86 CYP1A2 (0.46) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL22080463 0.86 CYP1A2 (0.48) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL25872004 0.85 ABCG2 (0.51) ABCG2ABCB1ABCC1MYCMEN1
SCHEMBL27275261 0.85 ABCG2 (0.44) ABCG2ABCB1ABCC1MYCMEN1
SCHEMBL26276963 0.84 ABCG2 (0.48) ABCG2ABCB1ABCC1MYCMEN1
SCHEMBL26276961 0.84 ABCG2 (0.48) ABCG2ABCB1ABCC1MYCMEN1

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-20220344597-A1 ORGANIC ELECTROLUMINESCENT DEVICE SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2022-10-27 — — US disclosed
Send feedback