SCHEMBL29133003

SCHEMBL29133003

COCc1cc(C(=O)OC)c(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
PRKCE Q02156 2/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
MAPT P10636 5/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NOTUM Q6P988 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL29201974 0.87 PRKCE (0.34) SOS1PRKCEMAPTKDM4ETSHR
SCHEMBL29132959 0.86 SOS1 (0.41) SOS1CA12CA1CA2CA7
SCHEMBL29133019 0.86 LCK (0.41) PRKCEMAPTKDM4ETSHRLMNA
SCHEMBL24516625 0.81 SOS1 (0.43) SOS1CA12CA1CA2CA7
SCHEMBL29128003 0.81 SOS1 (0.40) SOS1CA12CA1CA2CA7
SCHEMBL25619919 0.81 SOS1 (0.46) SOS1CA12CA1CA2CA7
SCHEMBL25676979 0.81 SOS1 (0.41) SOS1CA12CA1CA2CA7
SCHEMBL1044961 0.80 SOS1 (0.46) SOS1CA12CA1CA2CA7
SCHEMBL20557111 0.79 SOS1 (0.44) SOS1CA12CA1CA2CA7
SCHEMBL22400318 0.79 SOS1 (0.44) SOS1CA12CA1CA2CA7

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-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed