SCHEMBL11034640

SCHEMBL11034640

CCCCCc1ccc(OCCNc2ncnc(Cl)c2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
GLA P06280 1/20 0.38
HTT P42858 4/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BIRC5 O15392 1/20 0.37
STAT3 P40763 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 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
SCHEMBL11111531 0.99 S1PR2 (0.41) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11107134 0.99 S1PR2 (0.41) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11110500 0.99 S1PR2 (0.41) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11110174 0.92 GALR3 (0.41) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11109849 0.91 S1PR2 (0.39) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11103481 0.90 S1PR2 (0.41) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11107717 0.90 HTT (0.43) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11102791 0.89 S1PR2 (0.41) S1PR2S1PR1S1PR3LPAR2GALR3
SCHEMBL11109567 0.88 S1PR2 (0.43) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL11106779 0.88 S1PR2 (0.43) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59036667-A None JP disclosed
JP-59051257-A None JP disclosed
JP-S5951257-A NAPHTHYLTHIOCARBAMATE DERIVATIVE AND ITS PREPARATION TOYO SODA MFG CO LTD 1984-03-24 JP disclosed
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
JP-S5936667-A AMINOPYRIMIDINE DERIVATIVE SANKYO CO LTD 1984-02-28 JP disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed