SCHEMBL6537397

SCHEMBL6537397

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.37
VCAM1 P19320 4/20 0.36
CYP3A4 P08684 1/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 4/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL6537327 0.89 MEN1 (0.45) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6537530 0.78 MEN1 (0.55) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6537935 0.77 KMT2A (0.61) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL11811233 0.75 TDP1 (0.71) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL6537483 0.75 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL8856272 0.74 TSHR (0.45) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6538129 0.73 AXL (0.35) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL6538000 0.71 KMT2A (0.38) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6538008 0.70 MEN1 (0.49) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6537951 0.69 KMT2A (0.51) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2

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