SCHEMBL19364698

SCHEMBL19364698

CSC(=O)[C@@H](Nc1cncnc1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.33
FPR2 P25090 1/20 0.32
AR P10275 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL19364701 0.81 FDPS (0.48) LMNASMN1; SMN2
SCHEMBL756357 0.81 ALDH1A1 (0.41) BCAT2FPR2HCAR2LMNAGAA
SCHEMBL890126 0.81 BCAT2 (0.36) BCAT2FPR2HCAR2LRRK2TSHR
SCHEMBL8907560 0.81 BCAT2 (0.36) BCAT2HCAR2LRRK2
SCHEMBL2160122 0.81 ALDH1A1 (0.41) BCAT2FPR2HCAR2LMNAGAA
SCHEMBL2160129 0.81 ALDH1A1 (0.41) BCAT2FPR2HCAR2LMNAGAA
SCHEMBL8921088 0.77 MEN1 (0.37) BCAT2HCAR2HPGDLRRK2
SCHEMBL8910369 0.77 BCAT2 (0.37) BCAT2HCAR2LMNAGAAHPGD
SCHEMBL8185770 0.73 NPR3 (0.49) LMNA
SCHEMBL12977805 0.72 CCNA2 (0.31)

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-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed