SCHEMBL27601952

SCHEMBL27601952

O=C(O)c1c[nH]c(-c2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
TGFBR1 P36897 2/20 0.42
MAPK13 O15264 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
CA12 O43570 1/20 0.41
ALPL P05186 1/20 0.41
RPA1 P27694 1/20 0.41
CHEK2 O96017 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LDHA P00338 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GRM2 Q14416 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL1080850 0.84 PIN1 (0.47) KDM4EKMODHODHALDH1A1PIN1
SCHEMBL15180532 0.83 ALDH1A1 (0.49) ALPLCHEK2TNKSTNKS2KDM4E
SCHEMBL3094332 0.83 TPMT (0.39) CHEK2KDM4EKMOALDH1A1KMT2A
SCHEMBL14952963 0.83 NOTUM (0.47) CA12ALPLRPA1CHEK2TNKS
Hydrochloric Acid SCHEMBL6861539 0.82 PIN1 (0.46) KDM4EKMODHODHALDH1A1KMT2A
SCHEMBL15167516 0.82 GFER (0.44) TNKSTNKS2KDM4EDHODHATM
SCHEMBL724793 0.80 HTT (0.41) NR4A2BCL2L1BADTGFBR1TNKS
SCHEMBL1666589 0.79 ALDH1A1 (0.50) ALPLCHEK2TNKSTNKS2LDHA
SCHEMBL3367051 0.79 CHEK2 (0.54) CHEK2
SCHEMBL15967361 0.79 GRK6 (0.49) CHEK2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN disclosed