SCHEMBL28282196

SCHEMBL28282196

O=[N+]([O-])c1c(Cl)ccn1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
DCTPP1 Q9H773 1/20 0.41
MET P08581 3/20 0.40
CYP2C19 P33261 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KIF18A Q8NI77 1/20 0.39
PKM P14618 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23699016 0.86 CA1 (0.44) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL28733500 0.86 HTT (0.47) HTR6KMT2AMEN1HTTALDH1A1
SCHEMBL29428840 0.73 HTR6 (0.46) HTR6KMT2AMEN1HTTALDH1A1
SCHEMBL6421682 0.71 HTR6 (0.47) HTR6KMT2AMEN1HTTALDH1A1
SCHEMBL28901979 0.70 HTR6 (0.46) HTR6KMT2AMEN1HTTALDH1A1
SCHEMBL29428770 0.69 CYP2C19 (0.44) HTR6KMT2AMEN1ALDH1A1DCTPP1
SCHEMBL2273205 0.69 CYP2C19 (0.44) HTR6KMT2AMEN1ALDH1A1DCTPP1
SCHEMBL20762623 0.69 HTR6 (0.53) HTR6KMT2AMEN1HTTALDH1A1
SCHEMBL29687030 0.69 HTR6 (0.61) HTR6KMT2AMEN1HTTALDH1A1
SCHEMBL3241536 0.69 HTR6 (0.61) HTR6KMT2AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323612-A Tricyclic urea compounds as JAK 2V 617F inhibitors 因赛特公司 2023-06-23 CN disclosed
CN-116234550-A Aromatic formyl substituted tricyclic compound and preparation method and application thereof 劲方医药科技(上海)有限公司 2023-06-06 CN disclosed
CN-115403581-B Heterocyclic compounds as IRAK4 inhibitors 英矽智能科技(上海)有限公司 2023-03-28 CN disclosed
CN-115403581-A Novel heterocyclic compounds as IRAK4 inhibitors 英矽智能科技(上海)有限公司 2022-11-29 CN disclosed
WO-2022063101-A1 AROYL SUBSTITUTED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-03-31 WO disclosed
CN-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed
CN-109535164-A JAK kinase inhibitor, preparation method thereof and application thereof in medical field 上海华汇拓医药科技有限公司 2019-03-29 CN disclosed