SCHEMBL13005447

SCHEMBL13005447

CC(C)Cc1cccc(-c2cccc(C(=O)NCCN(C)C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.55
CAMK2D Q13557 4/20 0.51
PARP1 P09874 2/20 0.51
MAP4K4 O95819 1/20 0.49
RAD52 P43351 2/20 0.48
EGFR P00533 1/20 0.46
PRKD3 O94806 1/20 0.46
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CFD P00746 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46

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
SCHEMBL13005460 0.93 FYN (0.53) FYNPARP1
SCHEMBL13005464 0.92 FYN (0.49) FYNPARP1
SCHEMBL13060639 0.86 FYN (0.55) FYNCAMK2DPARP1MAP4K4RAD52
SCHEMBL13005465 0.85 HPGD (0.57) FYN
SCHEMBL13005545 0.83 UTS2R (0.50)
SCHEMBL27317323 0.82 PARP1 (0.59) FYNCAMK2DPARP1MAP4K4RAD52
SCHEMBL17154227 0.82 FYN (0.49) FYNCAMK2DPARP1MAP4K4RAD52
SCHEMBL26378205 0.81 HPGD (0.59) PARP1MMP1MMP2MMP9MMP14
SCHEMBL13005455 0.81 HPGDS (0.45)
SCHEMBL13005436 0.80 HDAC4 (0.45) PRKD1

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-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed