SCHEMBL6537327

SCHEMBL6537327

Cc1cnc2c([N+](=O)[O-])ccc(C)c2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TSHR P16473 6/20 0.38
CYP3A4 P08684 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PIM3 Q86V86 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6537397 0.89 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL6538000 0.81 KMT2A (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL6537530 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL6537483 0.76 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8856272 0.75 TSHR (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL6537335 0.74 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6538359 0.73 CYP3A4 (0.39) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL7693395 0.72 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL5635692 0.71 TDP1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL10946051 0.70 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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