SCHEMBL18993422

SCHEMBL18993422

O=C(Nc1ccc(S)cc1)c1ccc(O)c(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.51
P2RX1 P51575 1/20 0.46
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
LMNA P02545 3/20 0.45
ALOX15 P16050 4/20 0.44
TOP1 P11387 2/20 0.44
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
KLKB1 P03952 1/20 0.43
SNCA P37840 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL18027773 0.83 NPC1 (0.63) TERTLMNAALOX15MEN1TP53
SCHEMBL9051568 0.82 MEN1 (0.65) TERTSELLSELPLMNAMEN1
SCHEMBL18010077 0.79 TERT (0.47) TERTP2RX1SELLSELPLMNA
SCHEMBL24823417 0.79 P2RX1 (0.63) P2RX1LMNATP53HTTNPC1
SCHEMBL22851939 0.78 TERT (0.79) TERTLMNAALOX15MEN1TP53
SCHEMBL24824703 0.75 EPHX2 (0.58) P2RX1MEN1KMT2AHPGDNPC1
SCHEMBL15313832 0.74 BCL2L1 (0.63) P2RX1LMNAALOX15MEN1KMT2A
SCHEMBL27736254 0.74 LMNA (0.74) TERTLMNAMEN1TP53HTT
SCHEMBL18993415 0.74 TOP1 (0.82) LMNATOP1TOP2ATOP2BHTT
SCHEMBL2169634 0.74 MEN1 (0.68) TERTLMNAMEN1TP53HTT

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
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed