SCHEMBL18924216

SCHEMBL18924216

Cc1nnsc1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 7/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46

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
SCHEMBL11535110 0.86 MAPT (0.64) SMN1; SMN2MAPTLMNAPOLBKMT2A
SCHEMBL2867253 0.83 ABCC8 (0.50) TSHRRAB9ASMN1; SMN2MAPTATM
SCHEMBL10335263 0.81 HTT (0.49) RAB9ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL20154221 0.79 RAB9A (0.56) TSHRRAB9ASMN1; SMN2MAPTATM
SCHEMBL22005508 0.79 ILK (0.51) TSHRRAB9ASMN1; SMN2MAPTATM
SCHEMBL20154222 0.78 RAB9A (0.55) TSHRRAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2862045 0.78 ABCC8 (0.50) TSHRRAB9ASMN1; SMN2LMNAPOLB
SCHEMBL2211256 0.77 MAPT (0.54) TSHRMAPTLMNAPOLBKMT2A
SCHEMBL22005553 0.77 RAB9A (0.53) TSHRRAB9ASMN1; SMN2MAPTATM
SCHEMBL21550516 0.77 RAB9A (0.71) TSHRRAB9ASMN1; SMN2MAPTLMNA

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-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 US disclosed
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed