SCHEMBL20197679

SCHEMBL20197679

CNCc1ccc([S+]([O-])NC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
NCF1 P14598 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ADRB2 P07550 1/20 0.37
MMP8 P22894 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 1/20 0.31
PARP1 P09874 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
AKT2 P31751 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SLC6A2 P23975 2/20 0.30

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
SCHEMBL20943304 0.82 LOXL2 (0.44) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL7375867 0.81 LOXL2 (0.47) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL22012192 0.79 LOXL2 (0.45) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL20197928 0.79 PSIP1 (0.44) LOXL2KDM4EMAPTNOS3NOS1
SCHEMBL2504209 0.76 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL20197958 0.76 LOXL2 (0.42) LOXL2KDM4ECYP3A4MAPTNCF1
Hydrochloric Acid SCHEMBL30925271 0.74 KDM4E (0.74) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL12180351 0.73 ACHE (0.40) MAPTMMP8LMNACA1CA2
SCHEMBL2848915 0.72 MAPT (0.56) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL17493484 0.71 CYP2A6 (0.38) MMP8CA1CA2

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
WO-2021262910-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
EP-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 EP disclosed