SCHEMBL25005408

SCHEMBL25005408

Bc1c(B)c(B)c2c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3c(B)c(B)c(B)c(B)c3c(-c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c2c1B

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.31
IKBKB O14920 1/20 0.30
CYP1A1 P04798 2/20 0.30
CYP1B1 Q16678 2/20 0.30
KMT2A Q03164 1/20 0.30
ABCB1 P08183 2/20 0.30
ABCC1 P33527 2/20 0.30
ABCG2 Q9UNQ0 2/20 0.30
CYP1A2 P05177 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
SCHEMBL24767114 0.94 ARSA (0.31) CYP1A1CYP1B1KMT2AABCB1ABCC1
SCHEMBL24735256 0.91 PRKDC (0.34) PRKDCIKBKBCYP1A1CYP1B1KMT2A
SCHEMBL25035905 0.89 PRKDC (0.32) PRKDCCYP1A1CYP1B1KMT2AABCB1
SCHEMBL24908338 0.88 PRKDC (0.31) PRKDCKMT2A
SCHEMBL24908189 0.88 PRKDC (0.31) PRKDCKMT2A
SCHEMBL24908435 0.88 ABCC1 (0.32) ABCB1ABCC1ABCG2
SCHEMBL24766921 0.87 ALK (0.31)
SCHEMBL24908321 0.87 KDM4E (0.31) PRKDCCYP1A1CYP1B1ABCB1ABCC1
SCHEMBL21687082 0.86 PRKDC (0.34) PRKDCIKBKBCYP1A1CYP1B1KMT2A
SCHEMBL24469319 0.85 ARSA (0.33) PRKDCCYP1A1CYP1B1KMT2AABCB1

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-20230042023-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-09 US disclosed