SCHEMBL24469249

SCHEMBL24469249

Bc1c(B)c(B)c(-c2c3c(B)c(B)c(B)c(B)c3c(-c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3c(B)c(B)c(B)c(B)c23)c(B)c1B

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 13/20 0.36
CYP1A2 P05177 13/20 0.36
CYP1B1 Q16678 13/20 0.36
PRKDC P78527 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ABCC1 P33527 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE5A O76074 1/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2B6 P20813 1/20 0.36

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
SCHEMBL24481438 0.91 ARSA (0.34) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL22382184 0.89 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL26591498 0.88 ARSA (0.37) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL27020475 0.86 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL21940072 0.86 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL24776849 0.84 ARSA (0.36) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL25035879 0.84 ALOX5 (0.36) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL24735358 0.84 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL22546846 0.83 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4
SCHEMBL26447301 0.83 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1PRKDCCYP3A4

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-20220173334-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-06-02 US disclosed