SCHEMBL2015924

SCHEMBL2015924

CC(N)c1cc(Br)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
MAOA P21397 2/20 0.34
PLAU P00749 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 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
SCHEMBL283021 0.84 GABRA1 (0.46) KDM4EGLAGAAHTTMAPT
SCHEMBL2018114 0.84 LMNA (0.42) KDM4EGLAHTTLMNATP53
SCHEMBL3984863 0.81 KDM4E (0.42) KDM4EGLAGAAHTTMAPT
SCHEMBL2100743 0.78 GABRA1 (0.45) HTTLMNATP53GABRA1GABRB1
SCHEMBL249883 0.78 HPGD (0.41) KDM4EGLAGAAMAPTALDH1A1
SCHEMBL6486185 0.77 CASP1 (0.41) GLAGAAHTTLMNATP53
SCHEMBL20238210 0.77 PDE2A (0.43) HTTLMNATP53GABRA1GABRB1
SCHEMBL20855720 0.77 ALOX15 (0.46) KDM4EGAAHTTLMNATP53
SCHEMBL20855723 0.77 ALOX15 (0.46) KDM4EGAAHTTLMNATP53
SCHEMBL14987514 0.77 PDE2A (0.43) HTTLMNATP53GABRA1GABRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed