SCHEMBL5747796

SCHEMBL5747796

N#Cc1ccc2ccc3cc(N)cc4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
USP2 O75604 1/20 0.37
MDM4 O15151 1/20 0.37
ERBB2 P04626 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.32
NSD2 O96028 1/20 0.32
CHEK1 O14757 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL16561395 0.84 ALDH1A1 (0.44) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL5746906 0.83 CYP1A2 (0.43) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL5747311 0.81 ALDH1A1 (0.37) KDM4EALDH1A1USP2MDM4CYP1A2
SCHEMBL5750565 0.81 ALDH1A1 (0.37) KDM4EALDH1A1USP2MDM4CYP1A2
SCHEMBL5747661 0.81 TDP1 (0.42) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL2350296 0.80 ALDH1A1 (0.48) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL29804460 0.80 ALDH1A1 (0.48) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL5747214 0.77 ALDH1A1 (0.37) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL5750983 0.75 CYP1A2 (0.46) KDM4EALDH1A1ERBB2CYP1A2FYN
SCHEMBL30745195 0.74 CYP1A2 (0.42) KDM4EALDH1A1ERBB2CYP1A2FYN

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed