SCHEMBL7974034

SCHEMBL7974034

NC(=O)c1c(N)ncn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR3C2 P08235 1/20 0.45
MAPT P10636 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ICMT O60725 1/20 0.44
EPHX1 P07099 1/20 0.44
ACP3 P15309 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL7991370 0.85 KDM4E (0.51) MAOBALDH1A1KDM4ESMN1; SMN2NR3C2
SCHEMBL7974168 0.84 CDK9 (0.45) ROCK2ROCK1MAOBKDM4CALDH1A1
SCHEMBL7975372 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NR3C2MAPTLMNA
SCHEMBL7974026 0.81 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL31333086 0.81 ATM (0.51) ATMROCK2ROCK1MAOBKCNH2
SCHEMBL5483136 0.80 PKM (0.59) ALDH1A1LMNA
SCHEMBL7985070 0.80 P2RY14 (0.48) ATMKCNH2KDM4CALDH1A1KDM4E
SCHEMBL11491124 0.79 PKM (0.67) ATMKCNH2KDM4CALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7987445 0.79 PKM (0.57) ALDH1A1LMNA
SCHEMBL7984239 0.78 ADRA1D (0.52) ROCK2ROCK1NR3C2MAPTLMNA

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