SCHEMBL6205797

SCHEMBL6205797

COc1ccc(N(CCc2cnc(Cl)nc2Cl)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
RNF4 P78317 1/20 0.44
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.43
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
PTPN1 P18031 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.41
FPR2 P25090 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
SCHEMBL6205153 0.76 SMN1; SMN2 (0.35) GAASMN1; SMN2RNF4TP53ALDH1A1
SCHEMBL4687567 0.76 LMNA (0.56) GAASMN1; SMN2RNF4TP53KMT2A
SCHEMBL4689918 0.75 PTGIR (0.45) GAASMN1; SMN2TP53KMT2AMEN1
SCHEMBL6207367 0.72 LMNA (0.47) GAASMN1; SMN2TP53KMT2AMEN1
SCHEMBL16232251 0.71 KMT2A (0.61) GAASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5831974 0.68 SMN1; SMN2 (0.39) GAASMN1; SMN2RNF4TP53ALDH1A1
SCHEMBL6205531 0.67 MAPT (0.50) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5795287 0.67 SMN1; SMN2 (0.38) GAASMN1; SMN2RNF4TP53ALDH1A1
SCHEMBL16227482 0.66 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL13271512 0.66 MET (0.63)

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-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed