SCHEMBL28635550

SCHEMBL28635550

Nc1ccc(Br)cc1CC(F)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
DPP4 P27487 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PLAU P00749 1/20 0.31
IDO1 P14902 1/20 0.30
GPR35 Q9HC97 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
Ammonia Solution, Strong SCHEMBL20529675 0.83 KDM4E (0.36) KDM4EGLADPP4MAPTPOLB
SCHEMBL10409265 0.77 KDM4E (0.37) KDM4EGLADPP4MAPTMEN1
SCHEMBL31310646 0.74 KDM4E (0.39) KDM4EGLAMAPTPOLBPLAU
SCHEMBL19970560 0.74 KDM4E (0.41) KDM4EGLAMAPTPOLBMEN1
SCHEMBL2262110 0.73 KDM4E (0.34) KDM4EGLAMAPTMEN1ALDH1A1
SCHEMBL423154 0.71 CYP2A6 (0.46) KDM4EGLAMAPTPOLBMEN1
SCHEMBL14247650 0.70 DPP4 (0.45) KDM4EGLADPP4MAPTPOLB
SCHEMBL382588 0.70 MAPT (0.47) KDM4EGLAMAPTPOLBMEN1
Hydrochloric Acid SCHEMBL933206 0.70 CYP2A6 (0.44) KDM4EGLAMAPTPOLBMEN1
SCHEMBL29729453 0.70 KDM4E (0.45) KDM4EGLAMAPTPOLBMEN1

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
CN-109794293-B Iron-based photocatalyst and application thereof in degrading rhodamine B 杭州师范大学 2021-09-21 CN disclosed