SCHEMBL6538436

SCHEMBL6538436

O=[N+]([O-])c1cc(F)cc2c(Cl)ccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
KDM4E B2RXH2 6/20 0.61
TDP1 Q9NUW8 6/20 0.61
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
PKM P14618 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HSP90AA1 P07900 3/20 0.49
OPRK1 P41145 2/20 0.49
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
CASP6 P55212 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 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
SCHEMBL6536891 0.84 KMT2A (0.65) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537736 0.82 MEN1 (0.61) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL11544963 0.82 MEN1 (0.47) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537356 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL31399742 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL317836 0.76 KMT2A (1.00) ALDH1A1KMT2AMEN1KDM4ETDP1
4-Chloro-6,8-Difluoroquinoline SCHEMBL30225421 0.75 CDK8 (0.43) ALDH1A1KMT2AMEN1KDM4ETDP1
4-Chloro-6,8-Difluoroquinoline SCHEMBL264453 0.75 CDK8 (0.43) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL2476277 0.73 HSP90AA1 (0.69) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL6537590 0.72 NR4A2 (0.43) ALDH1A1KMT2AMEN1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed