SCHEMBL25224702

SCHEMBL25224702

CC(C)c1ccncc1C(O)CBr

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.40
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
KCNH2 Q12809 3/20 0.31
KDM6B O15054 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
AOC1 P19801 1/20 0.30
AOC3 Q16853 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL25228387 0.80 GAA (0.40) CYP3A4CYP2D6
SCHEMBL30488169 0.80 GAA (0.40) CYP3A4CYP2D6
SCHEMBL269127 0.78 RPS6KA3 (0.46) RPS6KA3ALOX5CYP3A4SLC6A2AOC1
SCHEMBL28035875 0.75 GABRA1 (0.46) SMN1; SMN2CYP3A4SLC6A2AOC3
SCHEMBL28035876 0.75 GABRA1 (0.46) SMN1; SMN2CYP3A4SLC6A2AOC3
SCHEMBL25230830 0.74 ABCB1 (0.39) RPS6KA3KCNH2KDM6BKDM4C
SCHEMBL24481241 0.72 TSHR (0.44) RPS6KA3ALOX5ALDH1A1SMN1; SMN2AOC1
SCHEMBL30488141 0.71 OPRL1 (0.34) RPS6KA3KDM4C
SCHEMBL25220711 0.71 OPRL1 (0.34) RPS6KA3KDM4C
SCHEMBL24448462 0.71 RPS6KA3 (0.41) RPS6KA3ALOX5AOC1AOC3

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed