SCHEMBL8568288

SCHEMBL8568288

CNC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.55
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ANO1 Q5XXA6 2/20 0.49
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PSMB5 P28074 1/20 0.45
POLB P06746 1/20 0.45
P2RX7 Q99572 1/20 0.45

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
SCHEMBL2392432 0.87 MEN1 (0.44) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL10992183 0.85 POLQ (0.48) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL6873689 0.84 POLQ (0.53) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL29907879 0.84 POLQ (0.53) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL19751892 0.83 POLQ (0.52) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL28057817 0.83 GAA (0.52) POLQHDAC1HDAC8EPHX2ALDH1A1
SCHEMBL9890749 0.82 P2RX7 (0.46) POLQHDAC1HDAC8EPHX2P2RX7
SCHEMBL265536 0.80 POLQ (0.59) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL31173765 0.80 POLQ (0.59) POLQHDAC1HDAC8SIGMAR1ANO1
SCHEMBL6864363 0.80 POLQ (0.58) POLQHDAC1HDAC8SIGMAR1EPHX2

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed