SCHEMBL9402850

SCHEMBL9402850

Cc1cccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.67
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ACLY P53396 5/20 0.58
METAP2 P50579 1/20 0.58
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
PTK2B Q14289 1/20 0.52
ALKBH2 Q6NS38 1/20 0.52
ALKBH3 Q96Q83 1/20 0.52
FTO Q9C0B1 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL6417385 0.85 MEN1 (0.72) MCL1KMT2AMEN1ACLYMETAP2
SCHEMBL25734203 0.81 ACLY (0.58) KMT2AMEN1ACLYMETAP2ALDH1A1
SCHEMBL9864681 0.80 METAP2 (0.58) MCL1KMT2AMEN1ACLYMETAP2
SCHEMBL12200959 0.79 CYP2C9 (0.61) MCL1KMT2AMEN1ACLYMETAP2
SCHEMBL9402983 0.78 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3554601 0.78 MEN1 (0.57) MCL1KMT2AMEN1METAP2ALDH1A1
SCHEMBL12201452 0.77 ACLY (0.74) MCL1ACLYMETAP2ALDH1A1HPGD
SCHEMBL9997289 0.76 PFKFB3 (0.61) MCL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL17331322 0.76 CYP2C9 (0.60) MCL1KMT2AMEN1METAP2ALDH1A1
SCHEMBL3982602 0.76 METAP2 (0.79) MCL1KMT2AMEN1METAP2TSHR

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
US-5336681-A Elastase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed