SCHEMBL9770560

SCHEMBL9770560

O=[N+]([O-])c1c(N2CCOCC2)c(Nc2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 6/20 0.50
MAPK1 P28482 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
HTR2A P28223 1/20 0.50
KDM1A O60341 1/20 0.49
PIM1 P11309 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
PIK3R1 P27986 1/20 0.43

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
SCHEMBL9770534 0.84 LMNA (0.47) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL9770634 0.81 LMNA (0.53) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL9770566 0.80 KDM4E (0.55) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL9770553 0.76 LMNA (0.51) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL9770626 0.72 KDM4E (0.51) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL11915878 0.72 KDM4E (0.49) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL9770550 0.72 LMNA (0.46) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL28188086 0.71 ABCG2 (0.49) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL9770640 0.71 CTSB (0.54) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL1825303 0.68 LMNA (0.97) ALDH1A1MAPTLMNAMAPK1KDM4E

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