SCHEMBL27601307

SCHEMBL27601307

C[S+]([O-])c1ccc(N(CC(=O)Nc2ccc(-c3csc(N)n3)cc2)C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALOX5 P09917 2/20 0.41
▸ GRM1 Q13255 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ FZD7 O75084 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ROCK2 O75116 1/20 0.36

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
Hydrochloric Acid SCHEMBL6174064 0.99 RAB9A (0.45) RAB9AKMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6173338 0.90 RAB9A (0.50) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL27583802 0.88 KMT2A (0.48) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL27601320 0.87 MEN1 (0.48) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL6177498 0.86 RAB9A (0.47) RAB9AKMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6174792 0.86 MEN1 (0.48) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL28752208 0.85 MAPT (0.48) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL6176630 0.83 RAB9A (0.65) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL6173143 0.82 KMT2A (0.44) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL6173268 0.81 RAB9A (0.43) RAB9AKMT2AMEN1ALDH1A1POLB

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-1473157-A Amide derivatives ֮����ҩ��ʽ���� 2004-02-04 — — CN disclosed
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