SCHEMBL7712463

SCHEMBL7712463

Cc1cc(NCc2ccco2)n2nc(C)nc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.70
ALDH1A1 P00352 5/20 0.61
TP53 P04637 4/20 0.61
HPGD P15428 3/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
CASP1 P29466 1/20 0.61
STAT1 P42224 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 2/20 0.56
LMNA P02545 3/20 0.48
BRD4 O60885 1/20 0.48
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
AHR P35869 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7706472 0.79 GAA (0.67) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL7819172 0.75 TP53 (0.64) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL7706435 0.71 TSHR (0.51) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL23521306 0.68 PI4KB (0.58) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL7256671 0.68 KMT2A (0.52) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL7712466 0.68 ALDH1A1 (0.37) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL17926587 0.68 L3MBTL1 (0.74) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL17926547 0.67 KCNN3 (0.68) L3MBTL1ALDH1A1TP53HPGDMAPT
SCHEMBL25986235 0.66 ADCY1 (0.68)
SCHEMBL20595556 0.66 HSD17B10 (0.49) L3MBTL1ALDH1A1TP53HPGDMAPT

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-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed