SCHEMBL4896515

SCHEMBL4896515

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PSMD14 O00487 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7721940 0.82 PSMD14 (0.33) ALDH1A1TSHRTDP1PSMD14CYP3A4
SCHEMBL3667018 0.76 ADRB2 (0.36) SMN1; SMN2
SCHEMBL21146474 0.75 KMT2A (0.49) ALDH1A1TSHRTDP1PSMD14CYP3A4
SCHEMBL109933 0.75 ALDH1A1 (0.44) ALDH1A1TSHRTDP1PSMD14CYP3A4
SCHEMBL8521178 0.74 ALDH1A1 (0.54) ALDH1A1TSHRTDP1PSMD14CYP3A4
SCHEMBL33874 0.74 ALDH1A1 (0.54) ALDH1A1TSHRTDP1PSMD14CYP3A4
Hydrochloric Acid SCHEMBL5582429 0.73 KDM4E (0.42) ALDH1A1TSHRTDP1PSMD14CYP3A4
SCHEMBL1293392 0.72 TDP1 (0.46) ALDH1A1TSHRTDP1PSMD14CYP3A4
Hydrochloric Acid SCHEMBL9725229 0.72 KDM4E (0.41) ALDH1A1TSHRTDP1PSMD14CYP3A4
SCHEMBL2032769 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTDP1PSMD14CYP3A4

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-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed