SCHEMBL20217481

SCHEMBL20217481

CC(O)CC1COCC(C)N1c1ccc(C(=N)c2cc(C(=O)NCc3ccccc3)ccc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
REN P00797 1/20 0.36
CTSD P07339 1/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 2/20 0.35
PLAU P00749 1/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 2/20 0.35
PPARG P37231 2/20 0.35
MAOA P21397 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL20217462 0.89 MAPT (0.38) ALDH1A1POLBKMT2ALMNATP53
SCHEMBL20217846 0.79 CYP3A4 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL20217515 0.78 ALDH1A1 (0.39) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL20217667 0.77 CNR2 (0.42) ALDH1A1POLBKMT2AHPGDRAB9A
SCHEMBL20217393 0.76 ALDH1A1 (0.57) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL20217767 0.74 CYP3A4 (0.38)
SCHEMBL20217479 0.73 MAPK1 (0.43) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL20217365 0.71 RXFP1 (0.44) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL20217630 0.70 RAB9A (0.45) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL20217657 0.70 HSD17B10 (0.45) MEN1KMT2AHPGDHSD17B10KDM1A

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
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed