SCHEMBL22601136

SCHEMBL22601136

CC(=O)Nc1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PTGER4 P35408 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP2 P08253 6/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42

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 0.90 PTGER4 (0.46) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL22601043 0.87 PTGER4 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL24313791 0.85 KDM4E (0.51) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL31723074 0.85 KDM4E (0.51) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL22588427 0.84 BCAT1 (0.43) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL24313739 0.84 HDAC6 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31723075 0.84 HDAC6 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL30538408 0.84 BCAT1 (0.55) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL22588433 0.83 BCAT1 (0.48) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL24313562 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53PKM

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 3 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
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
WO-2020216701-A1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed