SCHEMBL29072267

SCHEMBL29072267

COc1ccc(F)cc1C(OC(N)=O)C(=O)Nc1nccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.49
KCNMA1 Q12791 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 5/20 0.46
ADRB2 P07550 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
BRD4 O60885 1/20 0.45
HIF1A Q16665 1/20 0.45
EGFR P00533 3/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL22827746 0.86 RAB9A (0.52) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
Hydrochloric Acid SCHEMBL29489971 0.85 RAB9A (0.51) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
Hydrochloric Acid SCHEMBL20577413 0.85 RAB9A (0.51) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
Hydrochloric Acid SCHEMBL29365947 0.85 RAB9A (0.51) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
SCHEMBL20577393 0.81 RAB9A (0.49) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
SCHEMBL22805168 0.77 RAB9A (0.45) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
SCHEMBL29489965 0.77 RAB9A (0.45) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
SCHEMBL28698173 0.76 MEN1 (0.44) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
SCHEMBL1339948 0.76 EGFR (0.54) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1
SCHEMBL20299521 0.75 RAB9A (0.47) RAB9ASMN1; SMN2MAPK1LMNAKCNMA1

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-116693518-A Synthesis and application of EGFR inhibitor 江南大学 2023-09-05 CN disclosed