SCHEMBL5315684

SCHEMBL5315684

COCCOc1cc(Cn2nc(C)c(-c3ccccc3OCc3ccccc3)c(/C=C/c3cccc(F)c3)c2=O)cc(OCCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
PPARG P37231 1/20 0.35
ENPP2 Q13822 1/20 0.34
PTGER1 P34995 1/20 0.34
MAOB P27338 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5315689 1.00 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5311478 0.93 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5311481 0.93 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5310510 0.90 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5310508 0.90 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5311126 0.89 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5311122 0.89 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5314095 0.88 LMNA (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5314097 0.88 LMNA (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5308501 0.87 ENPP2 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed