SCHEMBL7984782

SCHEMBL7984782

NC(=O)c1c(N)ncn1Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE5A O76074 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE1C Q14123 2/20 0.42
PDE3A Q14432 2/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18050884 0.86 ATM (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL21440776 0.84 ALDH1A1 (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7984755 0.83 LMNA (0.56) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7989254 0.82 CYP11B1 (0.49) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL5483136 0.80 PKM (0.59) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL28016892 0.79 ALDH1A1 (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7987445 0.78 PKM (0.57) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7984751 0.78 NTRK1 (0.46) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7987920 0.78 TP53 (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7987938 0.78 KDM4E (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed