SCHEMBL27769338

SCHEMBL27769338

Cc1c(-n2nnnc2C)cc(-c2ccccc2)c(F)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
PDE10A Q9Y233 1/20 0.37
KCNN4 O15554 4/20 0.37
DHODH Q02127 6/20 0.37
TACR1 P25103 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHFR P00374 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27925722 0.94 DHODH (0.39) ALDH1A1TSHRLMNAKCNN4DHODH
SCHEMBL27748142 0.91 KCNN4 (0.36) ALDH1A1TSHRLMNAKCNN4DHODH
SCHEMBL27769340 0.87 KCNN4 (0.37) ALDH1A1TSHRLMNAKCNN4DHODH
SCHEMBL27769411 0.86 KCNN4 (0.41) ALDH1A1TSHRLMNAPDE10AKCNN4
SCHEMBL27748198 0.85 LMNA (0.38) ALDH1A1TSHRLMNAPDE10AKCNN4
SCHEMBL27907613 0.81 CNR2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL27830407 0.77 NOTUM (0.37) ALDH1A1TSHRLMNAPDE10ADHODH
SCHEMBL16875747 0.77 ALDH1A1 (0.40) ALDH1A1TSHRLMNADHODHDHFR
SCHEMBL27748148 0.76 KCNN4 (0.37) ALDH1A1KCNN4DHODH
SCHEMBL27830238 0.75 KDM5A (0.37) ALDH1A1TSHRLMNAPDE10ADHODH

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-101479250-B Tetrazole-substituted arylamides HOFFMANN LA ROCHE 2013-05-22 CN disclosed
CN-101479250-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed