SCHEMBL28588337

SCHEMBL28588337

CCc1[nH]c2cc(C#N)ccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALK Q9UM73 8/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
SRPK1 Q96SB4 3/20 0.38
SRPK2 P78362 2/20 0.38
SERPINE1 P05121 1/20 0.37
EML4 Q9HC35 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL6218634 0.78 PIN1 (0.48) PIN1ALKL3MBTL1SERPINE1
SCHEMBL7435163 0.78 MEN1 (0.50) PIN1MEN1KMT2AALKL3MBTL1
SCHEMBL23639678 0.76 L3MBTL1 (0.41) PIN1ALKL3MBTL1EML4
SCHEMBL20004875 0.75 GSK3B (0.35) PIN1MEN1KMT2AALKSRPK1
SCHEMBL6964299 0.74 KDM4E (0.57) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL30602834 0.74 KDM4E (0.57) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL31025877 0.74 PIN1 (0.49) PIN1MEN1KMT2AALKL3MBTL1
SCHEMBL6469338 0.73 GRIA2 (0.48) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL28319539 0.73 L3MBTL1 (0.38) PIN1ALKL3MBTL1SRPK1SRPK2
SCHEMBL22417805 0.72 MEN1 (0.69) MEN1KMT2AALKL3MBTL1SRPK1

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-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 CN disclosed