SCHEMBL5389044

SCHEMBL5389044

COB(O)c1ccccc1-c1nnn(C(C)c2ccccc2C)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL5400790 0.91 ALDH1A1 (0.31) ESR1ALDH1A1TSHRALOX15
SCHEMBL8783359 0.81 NPSR1 (0.47) TRPM8TSHRALOX15MEN1KMT2A
SCHEMBL8783143 0.75 ABCG2 (0.35) ESR1
SCHEMBL8783303 0.74 L3MBTL1 (0.39) TRPM8ALDH1A1
SCHEMBL8783280 0.74 TSHR (0.42) ALDH1A1SMN1; SMN2TSHRALOX15MEN1
SCHEMBL8783695 0.71 L3MBTL1 (0.39) TRPM8ALDH1A1MEN1MAPTKMT2A
SCHEMBL4990435 0.70 SMN1; SMN2 (0.36) SMN1; SMN2TSHRMAPT
SCHEMBL5389054 0.70 MEN1 (0.39) ALDH1A1SMN1; SMN2TSHRMEN1MAPT
SCHEMBL5983929 0.68 TDP1 (0.36) MEN1KMT2A
SCHEMBL8783654 0.68 ABCG2 (0.34) ALDH1A1SMN1; SMN2TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501770-A 2007-02-01 JP claimed
EP-1660463-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES Dipharma S.p.A. (IT) 2006-05-31 EP claimed
WO-2005014560-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES DIPHARMA S.P.A. (IT) 2005-02-17 WO claimed
EP-1660463-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES Dipharma S.p.A. (IT) 2006-05-31 EP disclosed
WO-2005014560-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE DERIVATIVES DIPHARMA S.P.A. (IT) 2005-02-17 WO disclosed