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SCHEMBL17033844

SCHEMBL17033844

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ FGFR1 P11362 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
SCHEMBL17033392 0.98 KDM4E (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17033554 0.93 GP6 (0.32) —
SCHEMBL17033579 0.92 ATM (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17033826 0.91 BMX (0.33) MEN1KMT2AMAPTATMTSHR
SCHEMBL17033578 0.91 ATM (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17033810 0.90 MAPT (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17033556 0.89 KDM4E (0.35) KMT2AATMKDM4EFGFR1
SCHEMBL17033574 0.88 KDM4E (0.35) ATMKDM4E
SCHEMBL17033834 0.88 CYP1A1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17033845 0.87 NPY5R (0.35) KMT2AALDH1A1MAPTNPY5RKDM4E

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed