SCHEMBL9770631

SCHEMBL9770631

Nc1c(N2CCCCC2)c(C2CCCCC2=O)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.42
NCF1 P14598 1/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BCHE P06276 3/20 0.40
ATM Q13315 1/20 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
SCHEMBL9770495 0.90 KDM4E (0.44) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL9770632 0.90 KDM4E (0.44) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL9770572 0.83 KMT2A (0.44) GAAKDM4ELMNAACHEHTT
SCHEMBL9770550 0.74 LMNA (0.46) GAAKDM4EALDH1A1LMNAACHE
SCHEMBL9171091 0.73 ACHE (0.52) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL9770657 0.73 KDM4E (0.49) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL9171496 0.69 ACHE (0.50) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL9770499 0.67 KDM4E (0.45) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL10863962 0.66 L3MBTL1 (0.61) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL10286810 0.65 ACHE (0.62) GAAKDM4EALDH1A1HPGDACHE

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-5019574-A 3,4-diaminoquinoline and 3,4-diamino-5,6,7,8-tetrahydroquinoline compounds useful for improving psychoneural function CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-28 US disclosed
EP-0361489-A2 Novel 3,4-diaminoquinoline and pyridine compounds Chugai Seiyaku Kabushiki Kaisha (JP) 1990-04-04 EP disclosed