SCHEMBL11848939

SCHEMBL11848939

N#CC(S)Cc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.51
▸ ASIC3 Q9UHC3 1/20 0.51
▸ CTSC P53634 1/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL8414136 0.79 UBE2T (0.56) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL30950696 0.76 UBE2T (0.53) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL29023737 0.76 UBE2T (0.53) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL76564 0.75 UBE2T (0.59) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL2662248 0.75 UBE2T (0.59) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL28238492 0.73 UBE2T (0.58) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL31570739 0.73 UBE2T (0.58) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL24123041 0.72 UBE2T (0.56) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL14478202 0.72 UBE2T (0.61) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL14478204 0.72 UBE2T (0.61) UBE2TASIC3SMN1; SMN2RAB9ANPC1

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-3984336-A BETA-THIO-PROPIONITRILE, ANTIWEAR AGENTS MOBIL OIL CORPORATION (US) 1976-10-05 — — US claimed
US-3984336-A BETA-THIO-PROPIONITRILE, ANTIWEAR AGENTS MOBIL OIL CORPORATION (US) 1976-10-05 — — US disclosed
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