SCHEMBL7974138

SCHEMBL7974138

CCC(=O)Nc1ncn(CCCc2ccccc2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.44
CNOT7 Q9UIV1 4/20 0.42
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1D P25100 1/20 0.40
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
TMIGD3 P0DMS9 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7987930 0.94 KMT2A (0.57) KMT2ACNOT7ALDH1A1SMN1; SMN2LMNA
SCHEMBL7984368 0.91 GSK3B (0.44) KMT2ATSHRCNOT7ALDH1A1SMN1; SMN2
SCHEMBL7991565 0.86 TSHR (0.49) KMT2ATSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL7987837 0.85 RECQL (0.47) KMT2ATSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL7984506 0.85 EHMT2 (0.43) TSHRCNOT7SMN1; SMN2ADRA1DRAB9A
SCHEMBL7987988 0.82 GAA (0.47) KMT2ATSHRCNOT7ALDH1A1SMN1; SMN2
SCHEMBL7992533 0.81 GLS (0.38) KMT2ATSHRCNOT7ALDH1A1LMNA
SCHEMBL7973823 0.81 NPC1 (0.48) KMT2AALDH1A1LMNAKDM4ERAB9A
SCHEMBL7987763 0.81 RAB9A (0.44) KMT2ACNOT7ALDH1A1SMN1; SMN2POLB
SCHEMBL7974223 0.80 RAB9A (0.46) ALDH1A1SMN1; SMN2POLBRAB9AHTT

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