SCHEMBL7987763

SCHEMBL7987763

NC(=O)c1c(NC(=O)c2ccccc2F)ncn1CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA1D P25100 1/20 0.40
CNOT7 Q9UIV1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL7974240 0.95 RAB9A (0.47) RAB9ANPC1POLBCASP3SENP7
SCHEMBL7991521 0.87 ADORA3 (0.47) RAB9ANPC1POLBCASP3SENP7
SCHEMBL7984698 0.87 SMN1; SMN2 (0.44) RAB9ANPC1ALDH1A1SIRT2SIRT1
SCHEMBL7984506 0.86 EHMT2 (0.43) RAB9ANPC1CASP3SENP7SIRT2
SCHEMBL7973823 0.85 NPC1 (0.48) RAB9ANPC1ALDH1A1SIRT2SIRT1
SCHEMBL7992375 0.83 SMN1; SMN2 (0.44) RAB9ANPC1ALDH1A1SIRT2SIRT1
SCHEMBL7988686 0.83 NPC1 (0.47) RAB9ANPC1ALDH1A1SIRT2SIRT1
SCHEMBL7987851 0.81 LMNA (0.46) RAB9ANPC1POLBALDH1A1ADORA3
SCHEMBL7987920 0.81 TP53 (0.47) RAB9ANPC1ALDH1A1AURKASMN1; SMN2
SCHEMBL7974138 0.81 KMT2A (0.52) RAB9ANPC1POLBALDH1A1ADRA1D

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