SCHEMBL4073512

SCHEMBL4073512

COC(=O)Oc1cnc(C#Cc2c(-c3ccccc3)noc2C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRA5 P31644 3/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3953576 0.83 ALDH1A1 (0.46) POLBALDH1A1LMNAHPGDTP53
SCHEMBL4075379 0.79 LMNA (0.44) POLBALDH1A1LMNAHPGDTP53
SCHEMBL3953725 0.73 ALDH1A1 (0.48) POLBALDH1A1LMNAHPGDTP53
SCHEMBL3953894 0.72 ALDH1A1 (0.48) POLBALDH1A1LMNAHPGDTP53
SCHEMBL3952843 0.71 ALDH1A1 (0.53) POLBALDH1A1LMNAHPGDKDM4E
SCHEMBL3951845 0.69 GABRA5 (0.48) POLBALDH1A1LMNAHPGDKDM4E
SCHEMBL3951102 0.69 PIK3CA (0.43) POLBLMNAGABRA5GAAMEN1
SCHEMBL3954777 0.69 MTOR (0.65) GABRA5MEN1KMT2A
SCHEMBL3951443 0.69 GABRA5 (0.47) POLBALDH1A1LMNAHPGDKDM4E
SCHEMBL4075384 0.69 ALOX5 (0.44) POLBALDH1A1LMNAHPGDKDM4E

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
EP-2029559-B1 ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-05 EP claimed