SCHEMBL8004897

SCHEMBL8004897

COc1ccc(-c2ccccc2)cc1N.COc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 4/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 4/20 0.48
ABCB1 P08183 2/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
HSD17B10 Q99714 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
APP P05067 1/20 0.46
HDAC2 Q92769 1/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL330530 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL12312330 0.88 ALDH1A1 (0.68) ALDH1A1MAPTMEN1THRBKMT2A
Hydrochloric Acid SCHEMBL1143402 0.87 ALDH1A1 (0.55) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL3793239 0.87 ALDH1A1 (0.57) ALDH1A1MAPTMEN1THRBKMT2A
Biphenyl SCHEMBL16950123 0.83 TDP1 (0.73) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL25135225 0.82 NCOA1 (0.57) ALDH1A1MAPTMEN1KMT2ATDP1
Aniline SCHEMBL22169118 0.82 ALDH1A1 (0.75) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL30839809 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL31607677 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL6863931 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1THRBKMT2A

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed