SCHEMBL24657128

SCHEMBL24657128

c1ccc(-c2cccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3cccc4c3ccc3c5ccccc5oc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.38
CYP1A2 P05177 11/20 0.38
CYP1B1 Q16678 10/20 0.38
ABCG2 Q9UNQ0 6/20 0.34
ABCC1 P33527 2/20 0.34
CYP19A1 P11511 2/20 0.34
PRKDC P78527 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL24656574 0.98 CYP1A2 (0.39) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24655357 0.95 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL18267568 0.94 CYP1A2 (0.36) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24657124 0.94 CYP1A2 (0.36) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24656567 0.94 CYP1A2 (0.39) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24655178 0.93 TDP1 (0.37) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL18267570 0.93 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24655604 0.93 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24657083 0.92 CYP1A1 (0.42) CYP1A1CYP1A2CYP1B1ABCG2ABCC1
SCHEMBL24657996 0.92 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ABCG2ABCC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243100-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed