SCHEMBL9853488

SCHEMBL9853488

O=C(c1ccccc1)c1cc(Cl)ccc1NCNc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
ALDH1A1 P00352 5/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 3/20 0.59
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SERPINE1 P05121 1/20 0.56
PPARG P37231 1/20 0.56
HTT P42858 2/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL13603806 0.88 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11636235 0.88 SMN1; SMN2 (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL1637533 0.87 CYP1A2 (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL19297583 0.85 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9726954 0.85 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL30862564 0.85 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11636322 0.84 PPARG (0.62) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11636878 0.84 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11680523 0.84 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11293404 0.84 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2TP53

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-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP claimed
EP-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP disclosed