SCHEMBL30849129

SCHEMBL30849129

Brc1ccc2c3c4ccccc4ccc3n(-c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2A6 P11509 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
TSHR P16473 2/20 0.33
HPRT1 P00492 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL15446603 1.00 L3MBTL1 (0.41) L3MBTL1ATMKDM4ECYP2A6RXFP1
SCHEMBL30395893 1.00 L3MBTL1 (0.41) L3MBTL1ATMKDM4ECYP2A6RXFP1
SCHEMBL29546492 0.90 L3MBTL1 (0.46) L3MBTL1ATMKDM4ECYP2A6RXFP1
SCHEMBL795985 0.90 L3MBTL1 (0.46) L3MBTL1ATMKDM4ECYP2A6RXFP1
SCHEMBL19045794 0.88 L3MBTL1 (0.49) L3MBTL1ATMKDM4ECYP2A6RXFP1
SCHEMBL15739325 0.87 ABCG2 (0.36) L3MBTL1ATMKDM4EMEN1KMT2A
SCHEMBL2627632 0.86 CYP2A6 (0.36) L3MBTL1ATMKDM4ECYP2A6RXFP1
SCHEMBL15739412 0.86 ABCG2 (0.35) L3MBTL1ATMKDM4EALDH1A1EGFR
SCHEMBL19819286 0.86 CCR9 (0.37) L3MBTL1ATMCYP2A6MEN1KMT2A
SCHEMBL15739329 0.86 EGFR (0.40) L3MBTL1ATMKDM4ERXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4402221-B1 BORONIC HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-05-07 EP disclosed
US-20240400892-A1 BORONIC HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2024-12-05 US disclosed
WO-2024060672-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2024-03-28 WO disclosed