SCHEMBL28000332

SCHEMBL28000332

COc1cccc(OC)c1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFE2L2 Q16236 5/20 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
SCHEMBL13724561 0.86 ALDH1A1 (0.50) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL4132573 0.83 SRC (0.58) CA1CA2ALDH1A1KDM4ELMNA
SCHEMBL4553620 0.79 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1TP53MAPT
SCHEMBL9527314 0.79 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL30041663 0.79 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL24926176 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL27451265 0.78 CA12 (0.42) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL18246053 0.77 ALDH1A1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL11749913 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL19612192 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CA1CA2CA7CA9

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-102869355-B Pde10 inhibitors and related compositions and methods OMEROS CORP 2015-07-08 CN disclosed
CN-104710385-A PDE10 inhibitors and related compositions and methods OMEROS CORP 2015-06-17 CN disclosed