SCHEMBL4080116

SCHEMBL4080116

CC1c2cc(C(=O)O)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL4085098 0.93 GRM5 (0.45) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1010133 0.90 GRM5 (0.48) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1010997 0.90 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL4075777 0.90 GRM5 (0.52) GRM5ALDH1A1HPGDKMT2AGAA
SCHEMBL1010001 0.88 GRM5 (0.49) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1011254 0.87 HPGD (0.49) GRM5ALDH1A1HPGDMEN1KMT2A
SCHEMBL1009049 0.87 GRM5 (0.51) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL1010117 0.87 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL1011624 0.86 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA
SCHEMBL1010650 0.86 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed