SCHEMBL9818953

SCHEMBL9818953

CC(C)(C)c1n[nH]c(SCC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.44
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CSNK2B P67870 1/20 0.39
TYMP P19971 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GRK6 P43250 5/20 0.36
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL11389957 0.79
SCHEMBL18562094 0.73 POLB (0.50) POLBKMT2ACSNK2A2CSNK2A1CSNK2B
SCHEMBL11393881 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20115738 0.67 CGAS (0.42) KMT2ALMNAMAPTHSD17B10
SCHEMBL19425507 0.65 TYMP (0.59) POLBKMT2ATYMPALDH1A1TDP1
SCHEMBL11163087 0.65 KMT2A (0.49) POLBKMT2ACSNK2A2CSNK2A1CSNK2B
SCHEMBL7987260 0.62 KDM4E (0.37) POLBKMT2ACSNK2A2CSNK2A1CSNK2B
SCHEMBL9196543 0.62 KMT2A (0.50) POLBKMT2ACSNK2A2CSNK2A1CSNK2B
Tiazotic Acid SCHEMBL6409061 0.61 POLB (0.51) POLBKMT2ACSNK2A2CSNK2A1CSNK2B
SCHEMBL11502827 0.61 KMT2A (0.44) POLBKMT2ACSNK2A2CSNK2A1CSNK2B

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
EP-0213718-B1 1-DIMETHYLCARBAMOYL-3-SUBSTITUTED-5-SUBSTITUTED-1H-1,2,4-TRIAZOLES ROHM AND HAAS COMPANY (US) 1991-06-12 EP disclosed