SCHEMBL8499510

SCHEMBL8499510

CN1C(C(N)=O)Cc2cc(Cl)c(Cl)cc2S1(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 11/20 0.52
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL8495189 0.87 CAPN1 (0.55) CAPN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8497491 0.83 CAPN1 (0.53) CAPN1
SCHEMBL8498396 0.81 CAPN1 (0.53) CAPN1
SCHEMBL8498097 0.78 CAPN1 (0.54) CAPN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8496272 0.75 AADAT (0.39) CAPN1ADRA1AHTR1AHTR7P2RX7
SCHEMBL8496327 0.71 CAPN1 (0.59) CAPN1ALDH1A1
SCHEMBL7344609 0.70 CAPN1 (0.58) CAPN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8499887 0.68 CAPN1 (0.57) CAPN1
SCHEMBL8494767 0.65 CAPN1 (0.58) CAPN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL25271191 0.63 ALDH1A1 (0.39) ALDH1A1

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-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed