SCHEMBL7973841

SCHEMBL7973841

NC(=O)c1c(NC(=O)c2ccccc2)ncn1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NTRK1 P04629 1/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CNR2 P34972 2/20 0.45
HSD17B13 Q7Z5P4 1/20 0.43
CNR1 P21554 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
HDAC1 Q13547 5/20 0.42
IDO1 P14902 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42

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
SCHEMBL7985255 0.95 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1CNR2GAA
SCHEMBL7975241 0.92 GAA (0.50) RAB9ANTRK1NPC1HSD17B13GAA
SCHEMBL7986413 0.90 HTT (0.52) RAB9AALDH1A1HSD17B13TSHRHDAC1
SCHEMBL7974581 0.90 LMNA (0.51) RAB9ANPC1ALDH1A1HSD17B13GAA
SCHEMBL7985361 0.89 P2RY14 (0.52) ALDH1A1CNR2CNR1HDAC1HDAC6
SCHEMBL7984668 0.89 POLB (0.49) RAB9ANPC1ALDH1A1P2RY14
SCHEMBL7974555 0.88 HDAC1 (0.45) RAB9ANPC1ALDH1A1TSHRHDAC1
SCHEMBL7984200 0.88 SMN1; SMN2 (0.53) RAB9ANPC1ALDH1A1HSD17B13PKM
SCHEMBL7988506 0.88 NTRK1 (0.48) RAB9ANTRK1NPC1ALDH1A1HSD17B13
SCHEMBL7991372 0.87 NR1H4 (0.49) ALDH1A1HDAC1HDAC6HDAC2HDAC3

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