SCHEMBL7428879

SCHEMBL7428879

CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MAPT P10636 8/20 0.53
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 5/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
PKM P14618 2/20 0.51
NPC1 O15118 2/20 0.51
TRPA1 O75762 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CDK2 P24941 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HCAR3 P49019 1/20 0.50

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
SCHEMBL17505169 0.86 KMT2A (0.77) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL11145622 0.83 MAPT (0.59) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL23642611 0.81 KMT2A (0.54) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL13802486 0.79 MAPT (0.56) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL18113450 0.78 KMT2A (0.60) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL3843127 0.77 KMT2A (0.71) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL14063303 0.77 HCAR3 (0.65) MAPTALDH1A1LMNAMAPK1PKM
SCHEMBL7371656 0.76 KMT2A (0.70) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL11318826 0.76 KMT2A (0.70) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL9318401 0.76 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1LMNA

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
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO disclosed