SCHEMBL27715445

SCHEMBL27715445

Cc1onc(-c2ccccc2)c1C(=O)c1cc(C(=O)O)n(NC2CCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
P2RY12 Q9H244 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL27736156 0.92 KMT2A (0.43) KMT2AHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3978060 0.82 KMT2A (0.50) KMT2AHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3978337 0.81 KMT2A (0.54) KMT2AHTTSMN1; SMN2LMNAMEN1
SCHEMBL3979100 0.75 NPSR1 (0.60) HTTSMN1; SMN2L3MBTL1GAATSHR
SCHEMBL3979034 0.74 GABRA5 (0.51) KMT2AGAATSHRP2RY12GABRA5
SCHEMBL3975394 0.72 HTT (0.61) KMT2AHTTSMN1; SMN2LMNAGABRA5
SCHEMBL3975360 0.72 NPC1 (0.48) KMT2ALMNAMEN1TSHRP2RY12
SCHEMBL3979026 0.72 TRPV1 (0.45) KMT2AHTTMEN1TSHRP2RY12
SCHEMBL3976838 0.72 GABRA5 (0.51) KMT2AGAATSHRP2RY12GABRA5
SCHEMBL3976772 0.72 GPBAR1 (0.46) KMT2AHTTSMN1; SMN2LMNAMEN1

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
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 CN claimed
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed