SCHEMBL30675595

SCHEMBL30675595

COc1cc(NC(=O)CCl)ccc1OC(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ MAPT P10636 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ENPP1 P22413 1/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL20679565 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL20679550 0.87 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL29663501 0.87 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL4117088 0.84 KMT2A (0.72) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL29108697 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL30675569 0.83 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL31051186 0.80 GRM4 (0.58) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
SCHEMBL20679600 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMEN1KMT2AENPP1
SCHEMBL29965698 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMEN1KMT2AENPP1
SCHEMBL27398825 0.80 GRM4 (0.58) SMN1; SMN2MAPTMEN1KMT2ACYP1A2

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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