SCHEMBL5360596

SCHEMBL5360596

Cc1[nH]c(I)c(C(=O)OCc2ccccc2)c1-c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
KMT2A Q03164 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.41
STAT1 P42224 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL5359751 0.90 LMNA (0.52) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL5361928 0.89 AR (0.49) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4921544 0.84 RAB9A (0.46) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL6466360 0.82 RAB9A (0.57) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL14347608 0.82 ALDH1A1 (0.51) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL6464539 0.80 ALDH1A1 (0.58) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4913965 0.78 KMT2A (0.39) ARKMT2AALDH1A1NPSR1HTT
SCHEMBL6464844 0.78 HTT (0.53) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL5354675 0.78 AR (0.47) ARKMT2ARAB9ANPC1ALDH1A1
SCHEMBL6466270 0.75 AR (0.63) ARKMT2ARAB9ANPC1ALDH1A1

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