SCHEMBL9452033

SCHEMBL9452033

Cc1ccc(N(C(=O)O)S(=O)(=O)Cl)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B2 P37059 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
METAP2 P50579 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ACLY P53396 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL7085433 0.80 SMN1; SMN2 (0.40) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL9452056 0.80 ALDH1A1 (0.36) ALDH1A1CA2
SCHEMBL9452052 0.74 THRA (0.38)
SCHEMBL7085086 0.74 POLB (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9139069 0.72 CA2 (0.38) ALDH1A1CA2
SCHEMBL30624639 0.69 TRPV4 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL20909917 0.68 ALDH1A1 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL7085756 0.68 CA1 (0.45) ALDH1A1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL9139315 0.67 CSNK2A1 (0.53) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28584353 0.66 ALKBH2 (0.42) ALDH1A1POLBHSD17B2METAP2MEN1

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-0555351-A1 OXYSULFONYL CARBAMATES. WARNER LAMBERT CO (US) 1993-08-18 EP disclosed