SCHEMBL27736615

SCHEMBL27736615

Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4N)c(N)c3)cc2N)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
USP2 O75604 3/20 0.46
HTT P42858 3/20 0.46
CASP1 P29466 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 5/20 0.44
CYP3A4 P08684 7/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL4532343 0.91 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL30462573 0.91 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27741074 0.83 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28806097 0.83 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27718005 0.83 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23581678 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5707641 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL599354 0.80 GAA (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11287510 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7806773 0.79 MAPT (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265203-A Method for preparing 3,3'-diamino-4,4'-di(2,4-diaminophenoxy)diphenyl UNIV DONGHUA (CN) 2008-09-17 CN disclosed
CN-101245029-A Process for producing 3,3'-diamino-4,4'-bis(2,4- diaminophenyloxy)biphenyl UNIV DONGHUA (CN) 2008-08-20 CN disclosed