SCHEMBL28422693

SCHEMBL28422693

Cc1cccc(C)c1NC(=O)OC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.53
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 5/20 0.46
POLB P06746 3/20 0.45
MAPT P10636 4/20 0.44
SCN3A Q9NY46 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 2/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL2096567 0.80 NLRP3 (0.59) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2096563 0.77 NLRP3 (0.56) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9359788 0.76 NLRP3 (0.78) NLRP3ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12467693 0.75 ALDH1A1 (0.52) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL24574915 0.74 LCK (0.60) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30051979 0.73 MAPT (0.67) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL4333871 0.73 POLB (0.60) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6430240 0.73 ALDH1A1 (0.70) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10526068 0.73 ALDH1A1 (0.56) NLRP3ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10524933 0.73 NLRP3 (0.59) NLRP3ALDH1A1L3MBTL1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410666-B Process for preparing sulfonamide compound 苏州亚盛药业有限公司 2021-02-19 CN disclosed
CN-111410666-A Process for preparing sulfonamide compound 苏州亚盛药业有限公司 2020-07-14 CN disclosed