SCHEMBL7419084

SCHEMBL7419084

NC(=O)c1cc(-n2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
FBP1 P09467 1/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3379193 0.81 LMNA (0.52) KDM4EFBP1MAPTKMT2APOLB
SCHEMBL8429265 0.79 SMN1; SMN2 (0.45) KDM4EFBP1MAPTALDH1A1CYP3A4
SCHEMBL872573 0.78 FBP1 (0.49) KDM4EFBP1MAPTKMT2APOLB
SCHEMBL15156883 0.78 FBP1 (0.49) KDM4EFBP1MAPTKMT2APOLB
SCHEMBL4764865 0.78 HPGD (0.51) KDM4EFBP1MAPTKMT2APOLB
SCHEMBL1787731 0.78 ALDH1A1 (0.52) KDM4EMAPTALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL1308132 0.77 TUBB4A (0.49) KDM4EMAPT
SCHEMBL7470078 0.76 MAPT (0.46) MAPTCYP3A4BLMPMP22
SCHEMBL1275821 0.76 MAPT (0.64) MAPTKMT2APOLBALDH1A1MEN1
SCHEMBL12312090 0.75 ALDH1A1 (0.56) KDM4EFBP1MAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 WO disclosed