SCHEMBL7224237

SCHEMBL7224237

COc1cccc2c(C(=O)N(C)C)n[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL2858690 0.84 CDK9 (0.54) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL7356720 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL31673022 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL30142286 0.79 KMT2A (0.40) KDM4EKMT2AL3MBTL1MEN1POLB
SCHEMBL20674039 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL11482576 0.72 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL14158209 0.72 KDM4E (0.38) KDM4EKMT2AL3MBTL1TSHRHTT
SCHEMBL1596970 0.72 FLT3 (0.64) KDM4ETSHRHTTSMN1; SMN2CTNNB1
SCHEMBL28369687 0.72 CHEK1 (0.55) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL11287929 0.71 LMNA (0.52) KDM4EALDH1A1HPGDGAAKMT2A

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed