SCHEMBL9035014

SCHEMBL9035014

ON=C1CCn2c(-c3ccccc3)nc3c(Cl)ccc1c32

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
PARP1 P09874 3/20 0.34
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGR P06401 1/20 0.31
BRAF P15056 1/20 0.31
HSD11B1 P28845 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9035190 0.81 PARP1 (0.41) KDM4EPARP1MEN1KMT2AHPGD
SCHEMBL8824093 0.79 PARP1 (0.55) KDM4ERECQLPARP1HPGDNPSR1
SCHEMBL9243355 0.79 PARP1 (0.55) KDM4ERECQLPARP1HPGDNPSR1
SCHEMBL8823994 0.73 PARP1 (0.58) KDM4ERECQLPARP1MEN1KMT2A
SCHEMBL8823991 0.73 PARP1 (0.58) KDM4ERECQLPARP1MEN1KMT2A
SCHEMBL8824089 0.68 PARP1 (0.45) KDM4ERECQLPARP1
SCHEMBL8824092 0.68 PARP1 (0.45) KDM4ERECQLPARP1
SCHEMBL8824032 0.67 PARP1 (0.42) KDM4ERECQLPARP1LMNA
SCHEMBL8824082 0.66 PARP1 (0.47) KDM4ERECQLPARP1LMNA
SCHEMBL8824085 0.66 PARP1 (0.47) KDM4ERECQLPARP1LMNA

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 3 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 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