SCHEMBL5359751

SCHEMBL5359751

Cc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KMT2A Q03164 6/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
AR P10275 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
STAT1 P42224 1/20 0.44
ATM Q13315 1/20 0.44
MAOB P27338 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL5361928 0.92 AR (0.49) LMNAALDH1A1NPSR1HTTRXFP1
SCHEMBL5360596 0.90 AR (0.47) LMNAALDH1A1NPSR1HTTRXFP1
SCHEMBL14347608 0.89 ALDH1A1 (0.51) LMNAALDH1A1NPSR1HTTRXFP1
SCHEMBL4921544 0.87 RAB9A (0.46) LMNAALDH1A1NPSR1HTTRXFP1
SCHEMBL6466270 0.85 AR (0.63) LMNAALDH1A1NPSR1HTTRXFP1
SCHEMBL6466360 0.85 RAB9A (0.57) LMNAALDH1A1NPSR1HTTKMT2A
SCHEMBL6464844 0.81 HTT (0.53) ALDH1A1NPSR1HTTRXFP1KMT2A
SCHEMBL5354675 0.81 AR (0.47) ALDH1A1NPSR1HTTRXFP1KMT2A
SCHEMBL6464539 0.80 ALDH1A1 (0.58) LMNAALDH1A1NPSR1HTTRXFP1
SCHEMBL6465908 0.80 ALDH1A1 (0.71) LMNAALDH1A1NPSR1HTTRXFP1

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed