SCHEMBL8329043

SCHEMBL8329043

Oc1c2ncc3ccccc3c2nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
TEAD3 Q99594 1/20 0.39
CACNA2D1 P54289 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
TRPM8 Q7Z2W7 8/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
GRM4 Q14833 1/20 0.35
NR3C1 P04150 1/20 0.35
CTSC P53634 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8324694 0.84 MAPT (0.40)
SCHEMBL8466029 0.82 SCN9A (0.32) CYP11B2NR3C1SMN1; SMN2
SCHEMBL8462048 0.80 KDM4E (0.39) NR3C1SMN1; SMN2
SCHEMBL8322376 0.80 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL8320446 0.80 NPC1 (0.49) SMN1; SMN2
SCHEMBL8321754 0.80 KDM4E (0.41) TP53SMN1; SMN2
SCHEMBL8322673 0.79 AURKA (0.36) TRPM8TP53SMN1; SMN2
SCHEMBL8329140 0.76 KMT2A (0.47) SMN1; SMN2
SCHEMBL8466300 0.74 GAA (0.43) TP53SMN1; SMN2
SCHEMBL8326878 0.73 KDM4E (0.41) CYP11B1CYP11B2

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-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP claimed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO claimed