SCHEMBL11538865

SCHEMBL11538865

CCCCCC[C@H](C)Nc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
SPHK1 Q9NYA1 2/20 0.39
MAPT P10636 3/20 0.37

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
SCHEMBL2878715 1.00 ALDH1A1 (0.47) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL28829229 0.98 ALDH1A1 (0.48) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL3955297 0.93 CYP3A4 (0.50) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL10432071 0.92 ALDH1A1 (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL11473790 0.91 ALDH1A1 (0.56) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL11520102 0.91 ALDH1A1 (0.56) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL11513573 0.91 ALDH1A1 (0.56) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL39138 0.91 ALDH1A1 (0.56) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL1417508 0.91 ALDH1A1 (0.56) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL11442419 0.89 ALDH1A1 (0.58) ALDH1A1TP53HSP90AA1CYP3A4THRB

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-4146687-A PHENOTHIAZINE AND AMINE ANTIOXIDANTS REDUCE DISCOLORATION STAUFFER CHEMICAL COMPANY (US) 1979-03-27 US claimed