SCHEMBL8428166

SCHEMBL8428166

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.58
KAT6A Q92794 2/20 0.53
MEP1B Q16820 2/20 0.51
PLAU P00749 4/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTSS P25774 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
SYK P43405 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL8424679 0.92 RAPGEF3 (0.51) RAPGEF3KAT6AMEP1BPLAUALDH1A1
SCHEMBL8425825 0.88 MAPT (0.60) RAPGEF3KAT6AMEP1BPLAUALDH1A1
SCHEMBL6848743 0.83 KAT6A (0.63) KAT6AALDH1A1POLBCTSSL3MBTL1
SCHEMBL8428222 0.83 RAPGEF3 (0.54) RAPGEF3KAT6AMEP1BPLAUALDH1A1
Hydrochloric Acid SCHEMBL27487670 0.82 KAT6A (0.61) KAT6AALDH1A1POLBCTSSL3MBTL1
SCHEMBL5171144 0.79 KMT2A (0.59) MEP1BALDH1A1POLBNPSR1KMT2A
SCHEMBL7598374 0.78 NPC1 (0.47) KAT6AMEP1BALDH1A1POLBCTSS
SCHEMBL3097522 0.76 RAPGEF3 (0.57) RAPGEF3KAT6APLAUALDH1A1KMT2A
SCHEMBL8425827 0.76 RAPGEF3 (0.57) RAPGEF3KAT6APLAUALDH1A1KMT2A
SCHEMBL8428170 0.76 KAT6A (0.60) RAPGEF3KAT6APLAUALDH1A1KMT2A

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