SCHEMBL22902140

SCHEMBL22902140

CC(C)Oc1cc2c3c(ccc4c5ccc6c7c(cc(OC(C)C)c(c1c34)c75)C(=O)N(C)C6=O)C(=O)N(C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
USP2 O75604 2/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TERT O14746 6/20 0.37
POLB P06746 1/20 0.36
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
CASP3 P42574 1/20 0.34
PDE5A O76074 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19101387 0.92 PRMT1 (0.37) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL21846601 0.86 PRMT1 (0.33) PRMT1MEN1KMT2AALDH1A1HPGD
SCHEMBL21892022 0.84 PRMT1 (0.34) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL19101539 0.83 PRMT1 (0.56) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL21846596 0.82 PRMT1 (0.40) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL19101428 0.76 PRMT1 (0.49) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL12170761 0.75 TERT (0.56) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL29355182 0.75 TERT (0.56) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL9968962 0.75 TERT (0.56) PRMT1MEN1KMT2AALDH1A1USP2
SCHEMBL710594 0.75 TERT (0.56) PRMT1MEN1KMT2AALDH1A1USP2

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-3623451-B1 COMPOUND MERCK PATENT GMBH (DE) 2021-01-20 EP disclosed