SCHEMBL9753841

SCHEMBL9753841

NCC(=O)c1ccc(F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
NNMT P40261 1/20 0.37

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
SCHEMBL1635872 0.81 PTPN1 (0.57) EPHX2KCNQ3KCNQ2P4HA1P4HTM
SCHEMBL5327128 0.81 MAPT (0.44) EPHX2KCNQ3KCNQ2SMN1; SMN2NPC1
SCHEMBL9670852 0.81 GSK3B (0.48) EPHX2KCNQ3KCNQ2SMN1; SMN2FOLH1
SCHEMBL18921446 0.78 EPHX2 (0.41) EPHX2KCNQ3KCNQ2FOLH1KDM1A
SCHEMBL30074590 0.78 NNMT (0.61) EPHX2KCNQ3KCNQ2NNMTSMN1; SMN2
SCHEMBL2514244 0.78 NNMT (0.61) EPHX2KCNQ3KCNQ2NNMTSMN1; SMN2
SCHEMBL27594193 0.77 RXFP1 (0.53) EPHX2KCNQ3KCNQ2GABRPGABRD
SCHEMBL6389786 0.77 NAPRT (0.60) KCNQ3KCNQ2SMN1; SMN2NPC1MAPT
SCHEMBL15136337 0.77 HDAC1 (0.55) KCNQ3KCNQ2GABRA1SMN1; SMN2NPC1
SCHEMBL3955664 0.77 EPHX2 (0.54) EPHX2KCNQ3KCNQ2FOLH1KDM1A

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
WO-1991009856-A1 PHARMACEUTICALLY ACTIVE OXAZOLE COMPOUNDS BEECHAM GROUP PLC (GB) 1991-07-11 WO disclosed