SCHEMBL28385353

SCHEMBL28385353

OSc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
FABP4 P15090 1/20 0.37
IDO1 P14902 2/20 0.36
NOTUM Q6P988 1/20 0.36
CA2 P00918 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
LRRK2 Q5S007 1/20 0.36
PDK2 Q15119 1/20 0.35
GRIN2D O15399 1/20 0.35

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
SCHEMBL944340 0.80 ALDH1A1 (0.41) LMNAGAADDB1CRBNALDH1A1
SCHEMBL8863558 0.80 NOTUM (0.45) LMNAGAADDB1CRBNALDH1A1
SCHEMBL29484715 0.80 NOTUM (0.45) LMNAGAADDB1CRBNALDH1A1
SCHEMBL6722250 0.77 IDO1 (0.35) LMNAGAADDB1CRBNALDH1A1
SCHEMBL514678 0.76 STK10 (0.44) LMNAGAADDB1CRBNALDH1A1
SCHEMBL514677 0.76 DDB1 (0.39) LMNAGAADDB1CRBNALDH1A1
SCHEMBL1801342 0.76 DDB1 (0.39) LMNAGAADDB1CRBNALDH1A1
SCHEMBL19042431 0.76 ALDH1A1 (0.43) LMNAGAADDB1CRBNALDH1A1
SCHEMBL28938831 0.76 DDB1 (0.39) LMNAGAADDB1CRBNALDH1A1
SCHEMBL18793345 0.76 DDB1 (0.39) LMNAGAADDB1CRBNALDH1A1

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
CN-111051281-A Compounds, compositions and methods for synthesis 波涛生命科学有限公司 2020-04-21 CN disclosed