SCHEMBL8927581

SCHEMBL8927581

COc1c(C)cc(N2CCN(c3ccc(-n4c(C)nn(CC(O)c5ccc(Cl)cc5)c4=O)cn3)CC2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RET P07949 1/20 0.34
TP53 P04637 1/20 0.33
BRD9 Q9H8M2 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
DRD4 P21917 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL8927579 0.86 KMT2A (0.40) POLBKMT2APPARAPPARGPPARD
SCHEMBL8810087 0.75 KMT2A (0.39) POLBKMT2ALMNAMAPTL3MBTL1
SCHEMBL9457262 0.73 POLB (0.50) POLBKMT2ALMNAMAPTL3MBTL1
Water SCHEMBL9457015 0.73 POLB (0.49) POLBKMT2ALMNAMAPTL3MBTL1
SCHEMBL8927401 0.73 POLB (0.45) POLBKMT2ALMNAMAPTTP53
SCHEMBL9275747 0.65 DRD4 (0.49) MAPTKDM4EALDH1A1DRD4MAPK1
SCHEMBL9271163 0.64 HTR1A (0.43) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL9272499 0.64 POLB (0.38) POLBDRD4RAB9A
SCHEMBL8811666 0.64 KMT2A (0.54) POLBKMT2AMAPTL3MBTL1TP53
SCHEMBL9274889 0.64 MAPT (0.43) KMT2ALMNAMAPTL3MBTL1ALDH1A1

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
US-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed