SCHEMBL9550412

SCHEMBL9550412

COC(=O)Cc1cccc2cc(-c3nc(C(C)C)cs3)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F2RL3 Q96RI0 2/20 0.38
HAO1 Q9UJM8 3/20 0.37
ALB P02768 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL9550442 0.75 MAOA (0.51) KDM4EHDAC6MEN1KMT2AALDH1A1
SCHEMBL9550494 0.72 NTRK1 (0.53) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL9550370 0.71 HDAC3 (0.53) KDM4EHDAC6MAPTMEN1HTT
SCHEMBL9550378 0.66 RAB9A (0.67) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL8311144 0.64 ESR1 (0.48) KDM4ESMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL9550359 0.64 CYP2D6 (0.42) KDM4ECYP2D6
SCHEMBL5775374 0.64 MAPT (0.45) RPS6KB2ALBMAPTKMT2ASMN1; SMN2
SCHEMBL26858390 0.64 KDM4E (0.47) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2239380 0.63 NLRP3 (0.44) KDM4EMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL13712986 0.63 LPAR1 (0.52) KDM4EKMT2ASMN1; SMN2TSHRCYP2C9

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed