SCHEMBL28298614

SCHEMBL28298614

Cc1cc(S(N)(=O)=O)ccc1C1(CO)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.41
CA1 P00915 10/20 0.41
CA12 O43570 9/20 0.41
CA7 P43166 7/20 0.41
CA14 Q9ULX7 6/20 0.41
ALOX15 P16050 1/20 0.38
PNMT P11086 1/20 0.37
CYP1A2 P05177 1/20 0.37
CA9 Q16790 8/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA4 P22748 1/20 0.37
CA3 P07451 1/20 0.36
SOS1 Q07889 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 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
SCHEMBL25516411 0.75 CA2 (0.47) CA2CA1CA12CA7CA14
SCHEMBL5500843 0.70 CA2 (0.39) CA2CA1CA12CA7CA14
SCHEMBL1808162 0.68 CA2 (0.50) CA2CA1CA12CA7CA14
SCHEMBL25516410 0.68 CA2 (0.50) CA2CA1CA12CA7CA14
SCHEMBL6669968 0.67 CA2 (0.55) CA2CA1CA12CA7CA14
SCHEMBL13997281 0.67 CA1 (0.61) CA2CA1CA12CA7CA9
SCHEMBL233320 0.66 LMNA (0.61) CA2CA1CA12CA7CA14
SCHEMBL29365636 0.66 LMNA (0.61) CA2CA1CA12CA7CA14
SCHEMBL1807624 0.66 CA2 (0.54) CA2CA1CA12CA7CA14
SCHEMBL1807944 0.65 CA2 (0.50) CA2CA1CA12CA7CA14

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
CN-109715629-A AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES 诺华股份有限公司 2019-05-03 CN disclosed