SCHEMBL22601043

SCHEMBL22601043

CCNc1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.48
MMP2 P08253 4/20 0.42
MMP14 P50281 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
BCAT1 P54687 1/20 0.39

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
SCHEMBL22587808 0.89 PTGER4 (0.46) PTGER4MMP2MMP14KDM4EMEN1
SCHEMBL22601136 0.87 NPC1 (0.49) PTGER4MMP2MMP14KDM4EMEN1
SCHEMBL24313791 0.84 KDM4E (0.51) PTGER4KDM4EMEN1NPC1ALDH1A1
SCHEMBL31723074 0.84 KDM4E (0.51) PTGER4KDM4EMEN1NPC1ALDH1A1
SCHEMBL31723093 0.84 TAS1R3 (0.42) PTGER4MMP2MEN1NPC1ALDH1A1
SCHEMBL24313815 0.84 TAS1R3 (0.42) PTGER4MMP2MEN1NPC1ALDH1A1
SCHEMBL22588190 0.83 MAPT (0.48) PTGER4KDM4EMEN1NPC1ALDH1A1
SCHEMBL22588102 0.83 GAA (0.46) PTGER4KDM4EMEN1NPC1ALDH1A1
SCHEMBL22588427 0.83 BCAT1 (0.43) PTGER4MMP2MMP14KDM4EMEN1
SCHEMBL30538408 0.83 BCAT1 (0.55) MMP2MMP14KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP claimed
CN-114072394-A Acylsulfonamides for the treatment of cancer 拜耳股份公司 2022-02-18 CN claimed
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
CN-114072394-A Acylsulfonamides for the treatment of cancer 拜耳股份公司 2022-02-18 CN disclosed
WO-2020216701-A1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed