SCHEMBL9129571

SCHEMBL9129571

N#CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 4/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL9130778 0.86 L3MBTL1 (0.46) LMNAPOLBTDP1MAPTALDH1A1
SCHEMBL9132673 0.85 PLK1 (0.47) LMNAPOLBTDP1MAPTALDH1A1
SCHEMBL9135710 0.85 PLK1 (0.58) LMNATDP1MAPTALDH1A1KMT2A
SCHEMBL9132489 0.84 PLK1 (0.60) LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL9130744 0.84 PLK1 (0.60) LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL9129497 0.83 LMNA (0.57) LMNAPOLBTDP1MAPTALDH1A1
SCHEMBL9132519 0.83 NR1H4 (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9130724 0.83 PLK1 (0.46) LMNAPOLBTDP1MAPTALDH1A1
SCHEMBL9132623 0.82 MAPT (0.52) LMNAPOLBTDP1MAPTALDH1A1
SCHEMBL9131404 0.82 CYSLTR2 (0.44) LMNAPOLBTDP1MAPTALDH1A1

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
US-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 EP disclosed