SCHEMBL8099671

SCHEMBL8099671

Cc1cc(Cc2ccc(CCCc3ccc(Cc4ccc(N)c(C)c4)cc3)cc2)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.65
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CDC25B P30305 1/20 0.39
CASP6 P55212 1/20 0.39
RCE1 Q9Y256 1/20 0.39
S100B P04271 1/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL8101258 0.96 SKP2 (0.65) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8093315 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8101743 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8100214 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8085996 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8095597 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8093769 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8096538 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8101644 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E
SCHEMBL8102593 0.94 SKP2 (0.62) SKP2ALDH1A1CYP3A4GAAKDM4E

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