SCHEMBL9815431

SCHEMBL9815431

CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.70
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 4/20 0.62
MMP2 P08253 4/20 0.62
MMP9 P14780 4/20 0.62
MMP1 P03956 2/20 0.62
MMP8 P22894 2/20 0.62
MMP3 P08254 1/20 0.62
MMP7 P09237 1/20 0.62
MMP14 P50281 1/20 0.62
PLA2G7 Q13093 1/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 2/20 0.59
CA12 O43570 1/20 0.59
MEN1 O00255 3/20 0.58
MMP13 P45452 1/20 0.57
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
IDO1 P14902 1/20 0.56

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
SCHEMBL10536063 1.00 PKM (0.70) PKMCYP2C19KMT2AMMP2MMP9
Acedapsone SCHEMBL152710 0.89 PKM (0.85) PKMCYP2C19KMT2AMMP2MMP9
SCHEMBL11239362 0.88 MMP2 (0.60) PKMKMT2AMMP2MMP9MMP1
SCHEMBL13728829 0.88 IDO1 (0.71) PKMCYP2C19KMT2ACA1CA2
Acedapsone SCHEMBL28716352 0.87 PKM (0.82) PKMCYP2C19KMT2AMMP2MMP9
Acedapsone SCHEMBL22518385 0.87 PKM (0.82) PKMCYP2C19KMT2AMMP2MMP9
SCHEMBL6516221 0.87 KMT2A (0.73) KMT2ACA1CA2CA9CA12
SCHEMBL31500692 0.87 MMP2 (0.59) PKMKMT2AMMP2MMP9MMP1
SCHEMBL11242568 0.85 LMNA (0.69) KMT2AMMP2MMP9MMP1MMP8
SCHEMBL19193960 0.84 PKM (0.62) PKMCYP2C19KMT2AMMP2MMP9

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-0241672-B1 PROCESS FOR PREPARING THERMOPLASTICALLY PROCESSABLE AROMATIC POLYAMIDES AND POLYAMIDIMIDES HÜLS AKTIENGESELLSCHAFT (DE) 1991-09-25 EP claimed
US-4824932-A Method of manufacturing thermoplastically processible aromatic polyamides and polyamidimides from bisamide HULS AKTIENGESELLSCHAFT (DE) 1989-04-25 US claimed
EP-0241672-A1 Process for preparing thermoplastically processable aromatic polyamides and polyamidimides HÜLS AKTIENGESELLSCHAFT (DE) 1987-10-21 EP claimed
EP-0241672-B1 PROCESS FOR PREPARING THERMOPLASTICALLY PROCESSABLE AROMATIC POLYAMIDES AND POLYAMIDIMIDES HÜLS AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed
US-4824932-A Method of manufacturing thermoplastically processible aromatic polyamides and polyamidimides from bisamide HULS AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed