SCHEMBL14972131

SCHEMBL14972131

Cc1cc(C)c(CNC(=O)c2ccc(C(C)Oc3cccnc3)nc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
KLKB1 P03952 2/20 0.42
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TBXAS1 P24557 2/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14966544 0.91 KLKB1 (0.41) POLBHPGDKLKB1LMNAKMT2A
SCHEMBL14972000 0.83 EZH2 (0.50)
SCHEMBL14966617 0.82 TSHR (0.43) POLBKLKB1LMNARECQLKMT2A
SCHEMBL14966658 0.77 SMN1; SMN2 (0.45) POLBHPGDKLKB1LMNAKMT2A
SCHEMBL14967419 0.77 SMN1; SMN2 (0.45) POLBHPGDKLKB1LMNAKMT2A
SCHEMBL14967406 0.77 SMN1; SMN2 (0.45) POLBHPGDKLKB1LMNAKMT2A
SCHEMBL14967264 0.76 SMN1; SMN2 (0.42) POLBHPGDLMNAMAPK1MMP13
SCHEMBL14967045 0.76 SMN1; SMN2 (0.41) HPGDKLKB1LMNAKMT2AGAA
SCHEMBL14966630 0.76 KLKB1 (0.41) HPGDKLKB1KMT2AALDH1A1MEN1
SCHEMBL14966826 0.76 SMN1; SMN2 (0.41) HPGDKLKB1LMNAKMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed