SCHEMBL2477656

SCHEMBL2477656

CCc1cccc(-c2ccccc2C(F)(F)C(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
KAT6A Q92794 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TRPA1 O75762 1/20 0.38
POLQ O75417 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
EPHX2 P34913 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 2/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 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
SCHEMBL20592727 0.81 POLQ (0.44) PDK2GABRA1GABRB2POLQALDH1A1
SCHEMBL2393250 0.76 AKR1C3 (0.46) PDK2AKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL5530171 0.75 GABRA1 (0.42) KAT6AGABRA1GABRB2POLQPTGS2
SCHEMBL27176597 0.75 GABRA1 (0.42) PDK2GABRA1GABRB2PTGS2P2RX7
SCHEMBL5415312 0.73 GABRA1 (0.46) GABRA1GABRB2POLQEPHX2LMNA
SCHEMBL8462696 0.73 PDCD1 (0.46) PDK2KAT6AGABRA1GABRB2PTPN5
SCHEMBL17039134 0.73 CYP2D6 (0.39) PDK2KAT6AGABRA1GABRB2ALDH1A1
SCHEMBL25019428 0.72 GABRA1 (0.45) PDK2KAT6AGABRA1GABRB2LMNA
SCHEMBL2397461 0.72 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2PPARGKMT2A
SCHEMBL22827470 0.71 GABRA1 (0.45) PDK2KAT6AGABRA1GABRB2POLQ

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
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed