SCHEMBL29108697

SCHEMBL29108697

COc1ccc(NC(=O)CCl)cc1OC(F)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL20679550 0.85 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL29663501 0.85 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30675595 0.84 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL20679565 0.84 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL20679611 0.79 GSTO1 (0.63) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30675599 0.79 GSTO1 (0.63) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL21663596 0.79 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL31051186 0.78 GRM4 (0.58) SMN1; SMN2CYP1A2CYP2C19KDM4ERAB9A
SCHEMBL20679600 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL29965698 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1

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-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 — — CN disclosed
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