SCHEMBL11599897

SCHEMBL11599897

N#CCCN1[CH]CNCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL3044885 0.74
SCHEMBL9326124 0.74
SCHEMBL361683 0.74
SCHEMBL6961881 0.71 KEAP1 (0.32) SMN1; SMN2
SCHEMBL3253791 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL3533333 0.71
SCHEMBL1476931 0.69 MEN1 (0.34) ALDH1A1CYP1A2HPGDCASP1CASP7
SCHEMBL6921607 0.69
SCHEMBL254649 0.69 GNAO1 (0.38) MEN1KMT2A
SCHEMBL4903211 0.69 CXCR4 (0.37) POLBSMN1; SMN2ALDH1A1CYP1A2MAPT

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-RE29834-E PREPARED FROM 4-SULFONYL-1,8-NAPHTHOLACTAMS BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 US claimed