SCHEMBL29316396

SCHEMBL29316396

Brc1c2ccccc2c(-c2c(-c3ccccc3)oc3ccccc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CA12 O43570 2/20 0.46
TP53 P04637 2/20 0.46
ABCB1 P08183 2/20 0.46
CYP3A4 P08684 2/20 0.46
AR P10275 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CA9 Q16790 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
DDR2 Q16832 1/20 0.46
CALM1 P0DP23 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44

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
SCHEMBL22954026 0.87 KMT2A (0.50) KMT2ACA1CA2MEN1LMNA
SCHEMBL29597506 0.87 KMT2A (0.50) KMT2ACA1CA2MEN1LMNA
SCHEMBL29316408 0.85 PLA2G2A (0.47) KMT2ACA1CA2MEN1LMNA
SCHEMBL29316400 0.82 KMT2A (0.46) KMT2ACA1CA2MEN1LMNA
SCHEMBL592430 0.81 CA1 (0.55) KMT2ACA1CA2MEN1LMNA
SCHEMBL23596720 0.80 KMT2A (0.50) KMT2ACA1CA2MEN1LMNA
SCHEMBL22954006 0.80 PTGS2 (0.54) KMT2ACA1CA2MEN1LMNA
SCHEMBL22954054 0.80 PTGS2 (0.54) KMT2ACA1CA2MEN1LMNA
SCHEMBL29597790 0.80 PTGS2 (0.54) KMT2ACA1CA2MEN1LMNA
SCHEMBL29598541 0.80 PTGS2 (0.54) KMT2ACA1CA2MEN1LMNA

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-20240237383-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2024-07-11 US disclosed