SCHEMBL1662948

SCHEMBL1662948

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TRPV1 Q8NER1 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45
BLM P54132 2/20 0.45
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
UBE2N P61088 1/20 0.45

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
SCHEMBL1663910 0.80 MAPT (0.48) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1663888 0.78 GAA (0.60) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL7728112 0.76 PTPN1 (0.61) KDM4EALDH1A1TRPV1MMP2MMP9
SCHEMBL6119890 0.76 MAPT (0.60) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1663554 0.75 PHGDH (0.59) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL1663704 0.75 MEN1 (0.60) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1663381 0.75 RAB9A (0.59) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL3885090 0.75 TRPV1 (0.74) KDM4EALDH1A1TRPV1
SCHEMBL1663896 0.75 MEN1 (0.65) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL15653051 0.74 AURKA (0.52) MAPTRAB9AMEN1KMT2AKDM4E

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-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed