SCHEMBL19045025

SCHEMBL19045025

O=[N+](O)c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ATM Q13315 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ DUSP3 P51452 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL17022454 0.87 KDM4E (0.44) KDM4EATML3MBTL1KMT2AMAPK1
SCHEMBL22197599 0.77 KDM4E (0.52) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL18810680 0.76 KDM4E (0.50) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL17861293 0.76 KDM4E (0.46) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL19045026 0.76 KDM4E (0.46) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL18810663 0.75 L3MBTL1 (0.57) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL18810668 0.75 L3MBTL1 (0.52) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL18810677 0.73 L3MBTL1 (0.53) KDM4EATML3MBTL1DUSP3KMT2A
SCHEMBL15073679 0.73 L3MBTL1 (0.74) KDM4EATML3MBTL1KMT2AMAPK1
SCHEMBL21709017 0.72 KDM4E (0.45) KDM4EATML3MBTL1DUSP3MAPT

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-2017109727-A1 HETERO-CONDENSED PHENYLQUINAZOLINES AND THEIR USE IN ELECTRONIC DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2017-06-29 — — WO disclosed
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