SCHEMBL7985255

SCHEMBL7985255

NC(=O)c1c(NC(=O)c2ccc(F)cc2)ncn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
IDO1 P14902 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CNR2 P34972 1/20 0.45
SLC6A12 P48065 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MCHR1 Q99705 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL7973841 0.95 RAB9A (0.47) ALDH1A1RAB9ANPC1IDO1RXFP1
SCHEMBL7975241 0.92 GAA (0.50) RAB9ANPC1RXFP1POLBGAA
SCHEMBL7988029 0.90 IDO1 (0.47) RAB9ANPC1IDO1RXFP1POLB
SCHEMBL7985361 0.89 P2RY14 (0.52) ALDH1A1CNR2KDM4ECDK2HDAC1
SCHEMBL7988506 0.88 NTRK1 (0.48) ALDH1A1RAB9ANPC1IDO1KDM4E
SCHEMBL7984200 0.88 SMN1; SMN2 (0.53) ALDH1A1RAB9ANPC1PKMTSHR
SCHEMBL7986413 0.88 HTT (0.52) ALDH1A1RAB9ATSHRHDAC1HDAC6
SCHEMBL7985682 0.87 GAA (0.46) ALDH1A1RAB9ARXFP1POLBGAA
SCHEMBL7973823 0.87 NPC1 (0.48) ALDH1A1RAB9ANPC1IDO1RXFP1
SCHEMBL7991372 0.87 NR1H4 (0.49) ALDH1A1HDAC1HDAC6HDAC3HDAC4

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