SCHEMBL15857952

SCHEMBL15857952

O=NC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cccs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.80
▸ KMT2A Q03164 9/20 0.80
▸ NPC1 O15118 9/20 0.80
▸ SMN1; SMN2 Q16637 9/20 0.80
▸ MAPT P10636 5/20 0.80
▸ KDM4E B2RXH2 5/20 0.80
▸ ALDH1A1 P00352 5/20 0.80
▸ TDP1 Q9NUW8 3/20 0.80
▸ POLB P06746 3/20 0.80
▸ UBE2I P63279 2/20 0.80
▸ SAE1 Q9UBE0 2/20 0.80
▸ UBA2 Q9UBT2 2/20 0.80
▸ PKM P14618 2/20 0.80
▸ BLM P54132 2/20 0.80
▸ HKDC1 Q2TB90 1/20 0.80
▸ MEN1 O00255 8/20 0.58
▸ LMNA P02545 3/20 0.58
▸ SLC12A2 P55011 1/20 0.58
▸ SLC12A5 Q9H2X9 1/20 0.58
▸ HTT P42858 2/20 0.53

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
SCHEMBL13024497 0.89 KMT2A (1.00) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL12319232 0.74 KMT2A (1.00) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL18985299 0.71 RAB9A (0.74) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL18985301 0.71 RAB9A (0.74) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL7669596 0.68 JAK2 (0.60) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL7002784 0.68 JAK2 (0.60) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL12319226 0.68 KMT2A (0.84) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL12319223 0.68 KMT2A (0.84) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL13854028 0.66 RAB9A (0.69) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL9767854 0.66 RAB9A (0.69) RAB9AKMT2ANPC1SMN1; SMN2MAPT

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-20140187444-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-03 — — US disclosed
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