SCHEMBL6229545

SCHEMBL6229545

Fc1ccc2sc(Cc3nc4ccccc4s3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ UBE2T Q9NPD8 1/20 0.53
▸ ASIC3 Q9UHC3 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ AKR1A1 P14550 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL28984552 0.86 HDAC6 (0.55) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL226465 0.84 UBE2T (0.70) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
Bromide SCHEMBL7601035 0.82 UBE2T (0.68) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL9306082 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL7600826 0.81 UBE2T (0.61) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
Fluoride SCHEMBL7600822 0.81 UBE2T (0.66) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL20651365 0.80 NPC1 (0.46) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL7219825 0.78 DYRK1A (0.45) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL4583713 0.78 LOXL2 (0.65) SMN1; SMN2NPC1RAB9AKMT2AUBE2T
SCHEMBL8461410 0.78 LOXL2 (0.47) SMN1; SMN2NPC1RAB9AKMT2AUBE2T

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-2003076443-A9 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2005-01-20 — — WO disclosed
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