SCHEMBL27899314

SCHEMBL27899314

Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(Nc4ccccc4)nn3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 5/20 0.53
TP53 P04637 4/20 0.53
THRB P10828 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL692754 0.86 NPC1 (0.56) NPC1RAB9ALMNATP53THRB
SCHEMBL20444412 0.78 MEN1 (0.69) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL692541 0.77 NPC1 (0.53) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL19132170 0.76 PTPN2 (0.63) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL9478963 0.76 MEN1 (0.82) MEN1GAAKMT2ALMNATHRB
SCHEMBL14877794 0.74 CA12 (0.76) MEN1GAAKMT2ALMNATHRB
SCHEMBL4665854 0.74 BACE1 (0.60) MEN1GAAKMT2ALMNATP53
SCHEMBL1952693 0.73 KMT2A (1.00) MEN1GAAKMT2ALMNACA12
SCHEMBL92717 0.73 KMT2A (1.00) MEN1GAAKMT2ALMNACA12
SCHEMBL9479370 0.73 KMT2A (1.00) MEN1GAAKMT2ALMNACA12

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
CN-103068390-A Compounds, compositions, and methods comprising pyridazine sulfonamide derivatives INST ONEWORLD HEALTH 2013-04-24 CN claimed