SCHEMBL8425825

SCHEMBL8425825

COc1ccc2ccc(S(=O)(=O)NCC(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
RAPGEF3 O95398 1/20 0.59
KAT6A Q92794 2/20 0.54
ALDH1A1 P00352 4/20 0.53
APEX1 P27695 1/20 0.52
MEP1B Q16820 2/20 0.52
PLAU P00749 3/20 0.51
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL8428166 0.88 RAPGEF3 (0.58) RAPGEF3KAT6AALDH1A1MEP1BPLAU
SCHEMBL4173740 0.84 MEP1B (0.67) MAPTALDH1A1MEP1BPOLBNPSR1
SCHEMBL8428222 0.84 RAPGEF3 (0.54) MAPTRAPGEF3KAT6AALDH1A1MEP1B
Trifluoroacetic Acid SCHEMBL8424679 0.83 RAPGEF3 (0.51) MAPTRAPGEF3KAT6AALDH1A1MEP1B
SCHEMBL6438335 0.83 ALDH1A1 (0.69) KAT6AALDH1A1APEX1CTSS
SCHEMBL4175747 0.82 MEP1B (0.75) MAPTKAT6AALDH1A1APEX1MEP1B
SCHEMBL3905853 0.77 APEX1 (0.57) KAT6AALDH1A1APEX1MEP1BPLAU
SCHEMBL8428170 0.77 KAT6A (0.60) MAPTRAPGEF3KAT6AALDH1A1PLAU
SCHEMBL8425827 0.77 RAPGEF3 (0.57) MAPTRAPGEF3KAT6AALDH1A1PLAU
SCHEMBL8973399 0.77 POLB (0.56) ALDH1A1APEX1POLBNPSR1

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-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed