SCHEMBL7781791

SCHEMBL7781791

CCC(CC)C(=O)Nc1cccc(N)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
DDX3X O00571 2/20 0.59
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL15604014 0.89 ALDH1A1 (0.64) ALDH1A1DDX3XLMNAKMT2AMEN1
SCHEMBL11488933 0.84 CA1 (0.55) ALDH1A1DDX3XLMNAKMT2AMEN1
SCHEMBL11750990 0.82 KMT2A (0.59) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL520125 0.81 ALDH1A1 (0.66) ALDH1A1DDX3XHTTNPSR1LMNA
SCHEMBL11751902 0.81 POLB (0.66) HTTNPSR1LMNAKMT2AMEN1
SCHEMBL11876425 0.80 HSD17B10 (0.72) ALDH1A1DDX3XTSHRCA1CA2
SCHEMBL4681925 0.79 MEN1 (0.86) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL11426024 0.79 ALDH1A1 (0.62) ALDH1A1DDX3XLMNATSHRGAA
SCHEMBL19592390 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1TSHRCYP2C9
SCHEMBL397243 0.78 POLB (0.67) ALDH1A1DDX3XLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135442-A1 DISPERSE DYE MIXTURES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-26 EP disclosed
WO-2000032697-A1 DISPERSE DYE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed
US-3951591-A Process for dyeing synthetic fiber materials HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed