SCHEMBL30128892

SCHEMBL30128892

Cc1ccc(S(=O)(=O)c2cnc3ccccc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.75
MAPT P10636 3/20 0.75
KMT2A Q03164 3/20 0.75
LMNA P02545 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
PKM P14618 2/20 0.71
POLB P06746 1/20 0.71
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
ALPL P05186 1/20 0.49
HPGD P15428 3/20 0.49
GRM5 P41594 2/20 0.48
PIK3CA P42336 1/20 0.48
GAA P10253 3/20 0.48
RAB9A P51151 3/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47

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
SCHEMBL27767382 0.86 HTT (0.76) HTTMAPTKMT2ALMNASMN1; SMN2
SCHEMBL28440582 0.79 KDM4E (0.57) HTTMAPTKMT2ALMNASMN1; SMN2
SCHEMBL30618062 0.76 KDM4E (0.66) HTTMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3834089 0.76 KDM4E (0.66) HTTMAPTKMT2ALMNASMN1; SMN2
SCHEMBL11092503 0.76 TSHR (0.47) HTTMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3521038 0.75 HTT (0.58) HTTMAPTKMT2ALMNASMN1; SMN2
Phenazine SCHEMBL29609188 0.74 KDM4E (0.58) HTTMAPTKMT2ALMNASMN1; SMN2
Phenazine SCHEMBL29879113 0.74 KDM4E (0.58) HTTMAPTKMT2ALMNASMN1; SMN2
SCHEMBL15256346 0.74 LMNA (0.74) HTTKMT2ALMNASMN1; SMN2POLB
SCHEMBL27930768 0.73 KDM4E (0.54) HTTMAPTKMT2ASMN1; SMN2PKM

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-113603651-B Method for preparing 3-sulfur substituted quinoxalinone derivatives by catalysis 浙江树人学院(浙江树人大学) 2022-12-13 CN disclosed