SCHEMBL9770600

SCHEMBL9770600

O=c1[nH]c2ccccc2c([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 2/20 0.49
CASP1 P29466 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
CASP7 P55210 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTSB P07858 1/20 0.47
KMT2A Q03164 2/20 0.46

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
SCHEMBL28439394 0.83 LMNA (0.54) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20870240 0.73 PDE9A (0.56) ALDH1A1HSD17B10CASP1NPSR1KDM4E
SCHEMBL9770634 0.71 LMNA (0.53) LMNAALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL8873183 0.70 GRIN2D (0.77) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25394868 0.70 GRIN2D (0.62) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30099670 0.69 DGKA (0.53) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23579065 0.69 DGKA (0.53) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1054236 0.68 FGFR1 (0.64) LMNAALDH1A1POLBNPSR1KDM4E
SCHEMBL5168397 0.68 CTSB (0.62) LMNAALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL9770560 0.68 ALDH1A1 (0.54) LMNAALDH1A1HSD17B10NPSR1KDM4E

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