SCHEMBL29498495

SCHEMBL29498495

Cc1cc(S(=O)(=O)N2CC(O)(C(F)(F)F)C2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36

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
SCHEMBL19994863 1.00 ABL1 (0.46) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL19989099 0.90 ABL1 (0.46) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL29859203 0.90 ABL1 (0.46) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL29859591 0.83 ALDH1A1 (0.50) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL19989545 0.83 ALDH1A1 (0.50) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL29859488 0.82 ALDH1A1 (0.51) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL19989416 0.82 ALDH1A1 (0.51) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL19989556 0.77 ALDH1A1 (0.50) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL29859265 0.77 ALDH1A1 (0.50) ABL1RIN1ALDH1A1MEN1KMT2A
SCHEMBL19989508 0.76 ALDH1A1 (0.51) ABL1RIN1ALDH1A1MEN1KMT2A

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-B Aza-indazole compounds for use in tendon and/or ligament injuries 诺华股份有限公司 2022-04-12 CN disclosed