SCHEMBL8093173

SCHEMBL8093173

CCCc1cccc(C(=O)Br)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.51
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
PLK1 P53350 1/20 0.46
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 2/20 0.45
ALOX5 P09917 1/20 0.43
GAA P10253 2/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
FOLH1 Q04609 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8098007 0.89 CYP4F2 (0.53) CYP4F2CYP4A11PLK1MAP1LC3BMAP1LC3A
SCHEMBL8095894 0.87 LPL (0.54) CYP4F2CYP4A11
SCHEMBL11752450 0.86 KAT6A (0.52) KAT6ACYP4F2CYP4A11ALOX5MAP1LC3B
SCHEMBL8098026 0.86 LPL (0.55) CYP4F2CYP4A11
SCHEMBL8100373 0.86 LPL (0.55) CYP4F2CYP4A11
SCHEMBL8087110 0.86 LPL (0.55) CYP4F2CYP4A11
SCHEMBL30354557 0.85 FOLH1 (0.61) KAT6AFOLH1
SCHEMBL4958280 0.85 KAT6A (0.51) KAT6ACYP4F2CYP4A11ALDH1A1
SCHEMBL991080 0.85 FOLH1 (0.61) KAT6AFOLH1
SCHEMBL8099947 0.84 BCL2 (0.51) KAT6ACYP4F2CYP4A11PLK1FOLH1

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