SCHEMBL27489685

SCHEMBL27489685

CCc1cc(C(=O)O)n(C)n1.Cc1cc(C(=O)O)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.40
ALPL P05186 5/20 0.40
CA12 O43570 5/20 0.40
SMYD3 Q9H7B4 1/20 0.40
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
HCAR3 P49019 3/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL343503 0.83 GRN (0.53) CA9CA12SMYD3NAMPTKDM4E
Hydrochloric Acid SCHEMBL6378087 0.81 GRN (0.51) CA9CA12SMYD3NAMPTKDM4E
SCHEMBL27462320 0.79 GRN (0.68) CA9ALPLKDM4EGRNSORT1
SCHEMBL27464512 0.76 ALPL (0.55) CA9ALPLCA12HCAR3ALOX15
SCHEMBL1423106 0.76
Hydrochloric Acid SCHEMBL23780332 0.74 ALPL (0.53) CA9ALPLCA12HCAR3ALOX15
Ethane SCHEMBL4702984 0.74 ALPL (0.53) CA9ALPLCA12HCAR3ALOX15
SCHEMBL8508457 0.71 GRN (0.55) CA9CA12SMYD3NAMPTKDM4E
SCHEMBL1431995 0.71 ALPL (0.54) CA9ALPLCA12HCAR3ALOX15
SCHEMBL28138855 0.71 SMYD3 (0.42) CA9CA12SMYD3NAMPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1234693-C Indazol compound for inhibiting protein kinase and medicine composition and their application AGOURON PHARMA (US) 2006-01-04 CN disclosed
CN-1495171-A Indazol compound for inhibiting protein kinase and medicine composition and their application ������ҩ�����޹�˾ 2004-05-12 CN disclosed
CN-1137884-C Indazole compounds and pharmaceutical compositions that inhibit protein kinases and methods of use thereof ������ҩ�����޹�˾ 2004-02-11 CN disclosed
CN-1374950-A Indazole compounds and pharmaceutical compositions for inhibiting protein kinases and their use AGOURON PHARMACETUICALS INC (US) 2002-10-16 CN disclosed