SCHEMBL7986760

SCHEMBL7986760

O=c1nc(-c2ccc(F)cc2)[nH]c2ncn(Cc3ccccc3F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
ROCK2 O75116 1/20 0.40
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ACP1 P24666 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
PDE5A O76074 3/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38

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
SCHEMBL7987224 0.93 LMNA (0.44) ALDH1A1LMNAROCK2PDE4APDE4B
SCHEMBL7991418 0.90 ALDH1A1 (0.40) ALDH1A1LMNAROCK2PDE4APDE4B
SCHEMBL7988753 0.88 ACP1 (0.41) ALDH1A1LMNAROCK2PDE4APDE4B
SCHEMBL7973921 0.86 ALDH1A1 (0.42) ALDH1A1LMNAROCK2PDE4APDE4B
SCHEMBL7974508 0.86 CNOT7 (0.51) ALDH1A1LMNATNKSTNKS2PARP2
SCHEMBL7985415 0.85 ALDH1A1 (0.39) ALDH1A1LMNAROCK2PDE4APDE4B
SCHEMBL7985119 0.85 CNOT7 (0.42) ALDH1A1LMNAROCK2PDE4APDE4B
SCHEMBL7984283 0.85 CNOT7 (0.43) ALDH1A1LMNAACP1PKMP2RX7
SCHEMBL7984682 0.84 PDE4A (0.39) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL7974203 0.84 ACP1 (0.41) ALDH1A1LMNAPDE4APDE4BPDE4C

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