SCHEMBL4227947

SCHEMBL4227947

CCSc1ccc2oc(-c3ccc4ccccc4c3)nc2c1.CC[S+]([O-])c1ccc2oc(-c3ccc4ccccc4c3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 11/20 0.53
CYP1A2 P05177 1/20 0.53
AHR P35869 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 7/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
THRB P10828 3/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3953365 0.91 UTRN (0.62) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL3947228 0.88 UTRN (0.61) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL3945489 0.75 UTRN (0.53) UTRNCYP1A2AHRHDAC6MAPT
Ezutromid SCHEMBL29376738 0.69 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAPT
Ezutromid SCHEMBL31080435 0.69 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAPT
Ezutromid SCHEMBL732212 0.69 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAPT
Ezutromid SCHEMBL30791155 0.69 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL24881921 0.69 SMN1; SMN2 (0.72) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL2248143 0.69 SMN1; SMN2 (0.72) UTRNCYP1A2AHRHDAC6MAPT
SCHEMBL16667078 0.68 UTRN (0.52) UTRNHDAC6MAPTRXFP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed