SCHEMBL28235537

SCHEMBL28235537

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 1.00
▸ KMT2A Q03164 6/20 1.00
▸ NPC1 O15118 2/20 0.76
▸ ALDH1A1 P00352 5/20 0.65
▸ KDM1A O60341 1/20 0.57
▸ MAOA P21397 1/20 0.57
▸ RAB9A P51151 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ WDR5 P61964 1/20 0.52
▸ CA1 P00915 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
SCHEMBL16634461 0.82 PTPN1 (0.70) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL13265852 0.80 MEN1 (0.65) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL13265853 0.78 MEN1 (0.63) MEN1KMT2ANPC1ALDH1A1CYP3A4
SCHEMBL10665983 0.76 KMT2A (0.62) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL617744 0.76 ALDH1A1 (0.72) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL4284641 0.75 PKM (0.72) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL4287167 0.75 L3MBTL1 (0.66) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL30873118 0.74 MEN1 (0.58) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL27183381 0.74 MEN1 (0.58) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL19771115 0.74 ALDH1A1 (0.74) MEN1KMT2ANPC1ALDH1A1RAB9A

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-108358869-B A kind of N- benzothiazolyl benzsulfamide analog derivative, Preparation method and use 河北师范大学 2019-09-10 — — CN disclosed
CN-108358869-A A kind of N- benzothiazolyls benzsulfamide analog derivative, Preparation method and use 河北师范大学 2018-08-03 — — CN disclosed
Send feedback