SCHEMBL7472903

SCHEMBL7472903

O=c1c([N+](=O)[O-])cnc(-c2ccccc2)n1Cc1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TSHR P16473 6/20 0.56
CFTR P13569 1/20 0.48
MAPT P10636 8/20 0.45
KDM4E B2RXH2 3/20 0.45
USP2 O75604 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
OPRK1 P41145 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.39

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
SCHEMBL7474272 0.77 KMT2A (0.38) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6241617 0.77 KDM4E (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7474776 0.76 ALDH1A1 (0.46) ALDH1A1CFTRMAPTKDM4EHPGD
SCHEMBL7474993 0.74 SMN1; SMN2 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7478693 0.73 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7476393 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHTTNPC1
SCHEMBL15983589 0.67 ALDH1A1 (0.52) ALDH1A1TSHRMAPTKDM4EUSP2
SCHEMBL3470351 0.65 CFTR (0.57) ALDH1A1TSHRCFTRMAPTHPGD
SCHEMBL15983573 0.65 ALDH1A1 (0.53) ALDH1A1TSHRMAPTKDM4EUSP2
SCHEMBL15837498 0.63 TSHR (0.74) ALDH1A1TSHRMAPTKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP claimed
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed