SCHEMBL24801432

SCHEMBL24801432

COC(=O)c1cc(Br)c(Cl)cc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
SOS1 Q07889 1/20 0.43
ABL1 P00519 1/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 4/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36

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
SCHEMBL31487952 0.84 MAPT (0.47) GAASOS1ABL1HTTTSHR
SCHEMBL31301254 0.84 GAA (0.49) GAASOS1ABL1HTTMEN1
SCHEMBL17118715 0.84 MAPT (0.47) GAASOS1ABL1HTTTSHR
SCHEMBL20045541 0.81 GAA (0.42) GAASOS1ABL1HTTALDH1A1
SCHEMBL747498 0.81 CA1 (0.49) GAASOS1ABL1HTTTSHR
SCHEMBL18703677 0.81 GAA (0.46) GAASOS1ABL1HTTALDH1A1
SCHEMBL8378560 0.80 GAA (0.49) GAASOS1ABL1HTTTSHR
SCHEMBL12279551 0.80 SOS1 (0.45) GAASOS1ABL1HTTTSHR
SCHEMBL24801995 0.79 SOS1 (0.47) GAASOS1HTTTSHRALDH1A1
SCHEMBL3337570 0.79 SOS1 (0.47) GAASOS1ABL1TSHRALDH1A1

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-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed