SCHEMBL8100324

SCHEMBL8100324

Cc1cc(N)cc(C)c1Cc1ccc(CCCc2ccc(Cc3c(C)cc(N)cc3C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
MAOB P27338 2/20 0.39
SLC28A3 Q9HAS3 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL8100135 0.96 MAOB (0.44) SKP2MAOBSLC28A3ALDH1A1GFER
SCHEMBL8102165 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8095877 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8093599 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8095835 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8099413 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8101186 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8093237 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8096529 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4
SCHEMBL8101931 0.94 MAOB (0.42) SKP2MAOBALDH1A1GFERCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed