SCHEMBL16879902

SCHEMBL16879902

CCC(=O)Nc1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.77
CA12 O43570 2/20 0.72
CA1 P00915 2/20 0.72
CA2 P00918 2/20 0.72
CA9 Q16790 2/20 0.72
RORC P51449 10/20 0.60
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 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
SCHEMBL1102036 0.85 ATM (0.77) ATMCA12CA1CA2CA9
SCHEMBL13589490 0.85 ATM (0.77) ATMCA12CA1CA2CA9
SCHEMBL11883912 0.85 POLB (0.69) CA12CA1CA2CA9MAPT
SCHEMBL13989319 0.84 GAA (0.73) ATMCA12CA1CA2CA9
SCHEMBL3906876 0.84 ATM (0.74) ATMCA12CA1CA2CA9
SCHEMBL3906878 0.84 ATM (0.74) ATMCA12CA1CA2CA9
SCHEMBL13263684 0.84 CA1 (1.00) ATMCA12CA1CA2CA9
SCHEMBL1102000 0.84 ATM (0.74) ATMCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL27809978 0.84 ATM (0.74) ATMCA12CA1CA2CA9
SCHEMBL8231658 0.82 ATM (0.72) ATMCA12CA1CA2CA9

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
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed