SCHEMBL30633552

SCHEMBL30633552

Nc1cc(Br)cc(C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2017939 1.00 GAA (0.35) GAAMAPTALDH1A1ALOX15MAPK1
SCHEMBL27083571 0.82 DAO (0.33)
SCHEMBL23528853 0.82 DAO (0.33)
SCHEMBL13401017 0.82 CYP3A4 (0.33) GAAMAPTALDH1A1
SCHEMBL27449232 0.76 GABRA1 (0.38) GAAMAPTALDH1A1ALOX15MAPK1
SCHEMBL21393521 0.73 CES2 (0.34)
SCHEMBL1194575 0.73 CHRNB4 (0.36)
SCHEMBL2016306 0.73
SCHEMBL219619 0.73
SCHEMBL11798292 0.71 ALDH1A1 (0.57) ALDH1A1

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-117043162-A TYK2 selective inhibitors and uses thereof 迈巴制药(南京)有限公司 2023-11-10 CN disclosed