SCHEMBL7721940

SCHEMBL7721940

Nc1ccc(C(CN(CCO)c2ccc(N)cc2)C(O)NCCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4896515 0.82 ALDH1A1 (0.35) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL109933 0.75 ALDH1A1 (0.44) PSMD14ALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL5582429 0.74 KDM4E (0.42) PSMD14ALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL9725229 0.72 KDM4E (0.41) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL1293392 0.72 TDP1 (0.46) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2032769 0.72 ALDH1A1 (0.41) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL21146474 0.72 KMT2A (0.49) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8521178 0.71 ALDH1A1 (0.54) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL28087334 0.71 ALDH1A1 (0.54) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL33874 0.71 ALDH1A1 (0.54) PSMD14ALDH1A1CYP3A4TSHRMAPK1

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
US-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US disclosed