SCHEMBL688102

SCHEMBL688102

CSc1cc(C)c(N)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
TP53 P04637 1/20 0.40
CD44 P16070 2/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
CASP1 P29466 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
SCHEMBL7483884 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL13302784 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL2860506 0.77 CYP3A4 (0.39) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL23234710 0.74 ALDH1A1 (0.34) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL22458199 0.74 MAPT (0.42) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL13324608 0.73 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL8764968 0.72 CNKSR1 (0.31)
SCHEMBL6371600 0.71 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL12925862 0.71 MAPT (0.35) ALDH1A1CYP3A4TSHRMAPTPOLB
SCHEMBL11755246 0.70 GAA (0.35) ALDH1A1CYP3A4CD44MAPK1

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
EP-2170468-B1 MANUFACTURE OF POLYURETHANE FOAM BALL INVISTA TECH SARL (CH) 2012-02-29 EP claimed