SCHEMBL28635548

SCHEMBL28635548

Nc1ccc(Br)cc1CCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
PLAU P00749 1/20 0.34
KDM1A O60341 2/20 0.33
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
SLC6A4 P31645 2/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
BACE1 P56817 1/20 0.30
HTR2A P28223 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
IDO1 P14902 1/20 0.30
GPR35 Q9HC97 1/20 0.30
SLC6A2 P23975 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
SCHEMBL11713314 0.81 MAPT (0.38) KDM4EGLAPLAUKDM1AMAPT
SCHEMBL21684871 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ASLC6A4HTR2ATRPM8
SCHEMBL2015922 0.76 HTR2A (0.49) KDM4EGLAMAPTMEN1ALDH1A1
SCHEMBL31413498 0.76 HTR2A (0.49) KDM4EGLAMAPTMEN1ALDH1A1
SCHEMBL4513207 0.75 SKP2 (0.40) KDM4EGLAMAPTPOLBMEN1
Hydrochloric Acid SCHEMBL31413396 0.75 HTR2A (0.47) KDM4EGLAMAPTMEN1ALDH1A1
SCHEMBL6264119 0.75 KDM4E (0.42) KDM4EGLAPLAUMAPTPOLB
SCHEMBL19970560 0.74 KDM4E (0.41) KDM4EGLAPLAUMAPTPOLB
Bromide SCHEMBL7930547 0.73 KDM4E (0.41) KDM4EGLAPLAUMAPTPOLB
SCHEMBL27619329 0.73 CDC25B (0.44) KDM4EMAPTPOLBMEN1ALDH1A1

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