SCHEMBL11580896

SCHEMBL11580896

c1ccc(SSc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MGLL Q99685 1/20 0.55
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 2/20 0.37
NSD2 O96028 1/20 0.37
APOBEC3G Q9HC16 2/20 0.37
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
DPP4 P27487 1/20 0.35
DCUN1D2 Q6PH85 1/20 0.35

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
SCHEMBL945670 0.91 HTR7 (0.50) MAPTHSD17B10HPGDSMN1; SMN2HTR7
SCHEMBL942945 0.81 HTR7 (0.42) MAPTHSD17B10HPGDSMN1; SMN2HTR7
SCHEMBL943905 0.81 HTR7 (0.42) MAPTHSD17B10HPGDSMN1; SMN2HTR7
SCHEMBL6550775 0.79 MAPT (0.52) MAPTHSD17B10HPGDSMN1; SMN2MGLL
SCHEMBL11574240 0.77 HTR7 (0.44) MAPTHSD17B10HPGDSMN1; SMN2MGLL
Hydrogen Sulfide SCHEMBL27169707 0.77 MAPT (0.50) MAPTHSD17B10HPGDSMN1; SMN2MGLL
Biphenyl SCHEMBL9957344 0.77 HSD17B10 (0.80) MAPTHSD17B10HPGDSMN1; SMN2MGLL
SCHEMBL28967314 0.77 HPGD (0.48) MAPTHSD17B10HPGDSMN1; SMN2MGLL
SCHEMBL8810988 0.76 HTR7 (0.47) MAPTHSD17B10HPGDSMN1; SMN2HTR7
SCHEMBL7737500 0.76 MAPK1 (0.48) MAPTHSD17B10HPGDHTR7ALDH1A1

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
US-4082808-A ANTIOXIDANTS, INTERMEDIATES FOR POLYESTERS, POLYCARBONATES, EPOXY RESINS GENERAL ELECTRIC COMPANY (US) 1978-04-04 US disclosed
US-3953519-A BASES, EPOXY COMPOUNDS, OLEFINS GENERAL ELECTRIC COMPANY (US) 1976-04-27 US disclosed