SCHEMBL22314749

SCHEMBL22314749

O=C(c1ccc2c(Br)n[nH]c2c1)N1CCC(F)(F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.48
BCR P11274 5/20 0.48
ACACB O00763 4/20 0.42
ACACA Q13085 4/20 0.42
DDR1 Q08345 2/20 0.42
GRM4 Q14833 4/20 0.41
HPGD P15428 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
TP53 P04637 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
SCHEMBL29431362 1.00 ABL1 (0.48) ABL1BCRACACBACACADDR1
SCHEMBL22314579 0.75 DDR1 (0.43) ABL1BCRACACBACACADDR1
SCHEMBL22314495 0.75 HPGD (0.51) ABL1BCRACACBACACAGRM4
SCHEMBL29431495 0.75 DDR1 (0.43) ABL1BCRACACBACACADDR1
SCHEMBL29431508 0.75 HPGD (0.51) ABL1BCRACACBACACAGRM4
SCHEMBL22314362 0.75 ADORA2A (0.43) ACACBGRM4HPGDCCNCCDK8
SCHEMBL29431327 0.75 ADORA2A (0.43) ACACBGRM4HPGDCCNCCDK8
SCHEMBL29431419 0.74 ACACB (0.42) ABL1BCRACACBACACA
SCHEMBL22314580 0.74 ACACB (0.42) ABL1BCRACACBACACA
SCHEMBL24463671 0.74 ABL1 (0.41) ABL1BCRACACBACACAGRM4

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
WO-2020160151-A1 15-PGDH INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-08-06 WO disclosed