SCHEMBL9653236

SCHEMBL9653236

COC(=O)CS(=O)(=O)Nc1ccc(F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
MRGPRX1 Q96LB2 6/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 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
SCHEMBL9651520 0.86 KMT2A (0.51) MRGPRX1KMT2A
SCHEMBL9499786 0.80 KMT2A (0.46) MRGPRX1KMT2A
SCHEMBL221687 0.78 METAP2 (0.53) METAP2KDM4EKMT2A
SCHEMBL31046886 0.78 METAP2 (0.53) METAP2KDM4EKMT2A
SCHEMBL9321934 0.78 MRGPRX1 (0.48) METAP2MRGPRX1KDM4EKMT2A
SCHEMBL9653888 0.76 MRGPRX1 (0.43) METAP2MRGPRX1KMT2A
SCHEMBL9321851 0.72 KMT2A (0.55) KMT2A
SCHEMBL12200769 0.71 METAP2 (0.71) METAP2KDM4EKMT2A
SCHEMBL9882948 0.71 MAPT (0.56) METAP2KDM4EKMT2A
SCHEMBL9651550 0.71 MAPT (0.36) KDM4EKMT2A

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
US-5130119-A Sulfonamide or hydroxy fluorine substituted benzene for medical diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed