SCHEMBL10457166

SCHEMBL10457166

NC(=O)CCCCCCCCC(N)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 3/20 0.43
SOAT1 P35610 2/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
FAAH O00519 1/20 0.43
KDM4E B2RXH2 3/20 0.39
LMNA P02545 4/20 0.38
PMP22 Q01453 3/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
ALOX15 P16050 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 2/20 0.36
PLG P00747 1/20 0.36
THRB P10828 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL10457266 0.97 KMT2A (0.39) KMT2ACYP1A2SOAT1MEN1TP53
SCHEMBL9843580 0.91
SCHEMBL12019019 0.87 TSHR (0.36) KMT2AMEN1LMNAPMP22TSHR
SCHEMBL11854035 0.87 TSHR (0.36) KMT2AMEN1LMNAPMP22TSHR
SCHEMBL25293705 0.84 KMT2A (0.52) KMT2ACYP1A2SOAT1MEN1TP53
SCHEMBL42735 0.84 KMT2A (0.52) KMT2ACYP1A2SOAT1MEN1TP53
SCHEMBL25288050 0.84 KMT2A (0.52) KMT2ACYP1A2SOAT1MEN1TP53
SCHEMBL15007818 0.84 KMT2A (0.52) KMT2ACYP1A2SOAT1MEN1TP53
SCHEMBL727151 0.84 KMT2A (0.52) KMT2ACYP1A2SOAT1MEN1TP53
SCHEMBL25293609 0.84 KMT2A (0.52) KMT2ACYP1A2SOAT1MEN1TP53

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-4912152-A From polyisocyanate and polyol JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-03-27 US disclosed