SCHEMBL9499786

SCHEMBL9499786

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MRGPRX1 Q96LB2 8/20 0.43
IDH2 P48735 1/20 0.39
ACLY P53396 1/20 0.37
AR P10275 1/20 0.36
EPHX2 P34913 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.35
CCR2 P41597 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL9367203 0.87 MRGPRX1 (0.42) KMT2AMRGPRX1IDH2SMN1; SMN2CCR2
SCHEMBL9323154 0.85 KMT2A (0.49) KMT2AMRGPRX1IDH2ACLYAR
SCHEMBL9651520 0.85 KMT2A (0.51) KMT2AMRGPRX1ACLYMAPTSMN1; SMN2
SCHEMBL9501054 0.83 KMT2A (0.42) KMT2AMRGPRX1IDH2ACLYAR
SCHEMBL9364388 0.83 KMT2A (0.42) KMT2AMRGPRX1IDH2AR
SCHEMBL9499710 0.81 KMT2A (0.45) KMT2AMRGPRX1IDH2EPHX2SMN1; SMN2
SCHEMBL9500279 0.81 KMT2A (0.44) KMT2AMRGPRX1IDH2AREPHX2
SCHEMBL9653236 0.80 METAP2 (0.49) KMT2AMRGPRX1
SCHEMBL9363404 0.79 KMT2A (0.42) KMT2AMRGPRX1IDH2AREPHX2
SCHEMBL9363632 0.79 KMT2A (0.49) KMT2AMRGPRX1IDH2ARMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed
US-5130119-A Sulfonamide or hydroxy fluorine substituted benzene for medical diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed