SCHEMBL9970748

SCHEMBL9970748

CCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL2304091 0.68 SMN1; SMN2 (0.70) ALDH1A1LMNANPSR1HTTKMT2A
SCHEMBL807770 0.61 POLB (0.56) ALDH1A1KDM4EGAALMNANPSR1
SCHEMBL8132267 0.61 ALDH1A1 (0.56) ALDH1A1KDM4EGAALMNANPSR1
SCHEMBL25062484 0.61 ALDH1A1 (0.59) ALDH1A1LMNAHTTL3MBTL1KMT2A
SCHEMBL13113684 0.60 SMN1; SMN2 (0.57) ALDH1A1KDM4EGAALMNANPSR1
SCHEMBL19368119 0.60 CTSC (0.53) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL28205073 0.60 CRHBP (0.65) LMNAKMT2AMEN1MAPTHRH3
SCHEMBL8476956 0.60 ALDH1A1 (0.51) ALDH1A1GAALMNAHTTL3MBTL1
SCHEMBL12359155 0.60 IRAK4 (0.49) ALDH1A1NPSR1KMT2ATSHRMAPK1
SCHEMBL309271 0.60 HPGD (0.64) ALDH1A1KDM4EGAALMNAHTT

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
WO-2012083190-A1 INSECT ODORANT RECEPTOR ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2012-06-21 WO disclosed