SCHEMBL31319956

SCHEMBL31319956

COC(=O)c1c(C)c(OC)c(OC)c(F)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SOS1 Q07889 1/20 0.34
CISD2 Q8N5K1 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL30666052 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1
SCHEMBL9766024 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1
SCHEMBL9480507 0.75 ALDH1A1 (0.45) TSHRALDH1A1NPSR1KDM4EHPGD
SCHEMBL27388705 0.73 MEN1 (0.41) SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1
SCHEMBL9766053 0.73 TSHR (0.42) SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1
SCHEMBL34471917 0.72 SMN1; SMN2 (0.35) SMN1; SMN2TSHRMAPK1ALDH1A1SOS1
SCHEMBL30666031 0.72 ALDH1A1 (0.39) SMN1; SMN2TSHRMAPK1ALDH1A1CISD2
SCHEMBL9766012 0.71 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1
SCHEMBL9766076 0.71 TSHR (0.52) SMN1; SMN2TSHRMAPK1ALDH1A1KDM4E
SCHEMBL30666034 0.70 APP (0.36) SMN1; SMN2TSHRMAPK1KDM4E

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-119301129-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2025-01-10 CN disclosed