SCHEMBL20006966

SCHEMBL20006966

Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
ALDH1A1 P00352 6/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 1/20 0.61
TP53 P04637 1/20 0.60
GHSR Q92847 1/20 0.60
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL12585052 0.81 MAPK1 (0.79) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL13501815 0.80 ALDH1A1 (0.84) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL13501814 0.80 ALDH1A1 (0.68) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL20006961 0.78 HPGD (0.70) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL6316836 0.77 SMN1; SMN2 (0.51) HPGDALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL20006969 0.77 MAPK1 (0.72) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL20006965 0.77 TP53 (0.75) ALDH1A1ALOX12MAPK1SMN1; SMN2MEN1
SCHEMBL20006971 0.76 ALDH1A1 (0.70) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL6316411 0.76 RAB9A (0.50) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14028267 0.75 ALDH1A1 (0.62) HPGDALDH1A1ALOX12MAPK1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055235-A1 ISOXAZOLE-AMIDES FOR TREATING CARDIAC DISEASES UNIVERSITY OF HELSINKI (FI) 2018-03-29 WO disclosed