SCHEMBL9035894

SCHEMBL9035894

O/N=C1\CCn2cnc3cccc1c32

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
HTR3A P46098 1/20 0.41
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
FGFR1 P11362 1/20 0.33
HTR1A P08908 1/20 0.31
HTT P42858 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL9035899 1.00 PARP1 (0.50) PARP1HTR3AHPGDNPSR1LMNA
SCHEMBL854184 0.76 PARP1 (0.61) PARP1HTR3ALMNAHSD17B10DRD2
SCHEMBL401463 0.72 DRD2 (0.50) PARP1HTR3ANPSR1LMNADRD2
SCHEMBL9243355 0.68 PARP1 (0.55) PARP1HTR3AHPGDNPSR1KDM4E
SCHEMBL8824093 0.68 PARP1 (0.55) PARP1HTR3AHPGDNPSR1KDM4E
SCHEMBL13703739 0.67 PARP1 (0.41) PARP1HTR3AHPGDLMNAHSD17B10
SCHEMBL13557122 0.67 PARP1 (0.57) PARP1HTR3ALMNAHSD17B10DRD2
SCHEMBL405139 0.66 DRD2 (0.48) PARP1HTR3AHPGDHSD17B10DRD2
SCHEMBL8824092 0.65 PARP1 (0.45) PARP1HTR3AKDM4ERECQL
SCHEMBL8823994 0.65 PARP1 (0.58) PARP1HTR3ALMNAKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405442-B1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARM CO LTD (JP) 1996-09-04 EP claimed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP claimed
EP-0405442-B1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARM CO LTD (JP) 1996-09-04 EP disclosed
US-5151431-A Diuretics MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-09-29 US disclosed
US-5151431-A Diuretics MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-09-29 US disclosed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed