SCHEMBL7415904

SCHEMBL7415904

C=COCCNc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
PPARG P37231 1/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
THRB P10828 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL11636878 0.81 MAPT (0.56) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL19268096 0.81 PPARG (0.49) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL9726954 0.80 MAPT (0.58) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL19297583 0.80 MAPT (0.58) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL9853488 0.79 MAPT (0.63) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL11680523 0.79 MAPT (0.56) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL11266542 0.78 MAPT (0.55) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL11636235 0.77 SMN1; SMN2 (0.64) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL13603806 0.77 MAPT (0.60) MAPTALDH1A1LMNAPPARGTP53
SCHEMBL11298000 0.77 PPARG (0.54) MAPTALDH1A1LMNAPPARGTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989829-A 1,4-Benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-02 US disclosed