SCHEMBL5311478

SCHEMBL5311478

COc1cc(Cn2nc(C)c(-c3ccccc3OCc3ccccc3)c(/C=C/c3cccc(F)c3)c2=O)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ENPP2 Q13822 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
PPARG P37231 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NFE2L2 Q16236 2/20 0.36
PABPC1 P11940 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5311481 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5311122 0.95 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5311126 0.95 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5314095 0.94 LMNA (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5314097 0.94 LMNA (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5308705 0.93 MEN1 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5308706 0.93 MEN1 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5313185 0.93 ALDH1A1 (0.40) ALDH1A1LMNAHTTENPP2FAAH
SCHEMBL5313189 0.93 ALDH1A1 (0.40) ALDH1A1LMNAHTTENPP2FAAH
SCHEMBL5315684 0.93 MEN1 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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