SCHEMBL27913635

SCHEMBL27913635

O=C(NCc1cccc(C(F)(F)F)c1F)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
EPHX2 P34913 7/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
P2RX7 Q99572 6/20 0.50
ROCK2 O75116 2/20 0.48
PPARG P37231 2/20 0.47
GRK3 P35626 2/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCH P24723 1/20 0.47
GRK2 P25098 1/20 0.47
GRK5 P34947 1/20 0.47
PRKCI P41743 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKD1 Q15139 1/20 0.47

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
SCHEMBL27913562 0.83 P2RX7 (0.50) EPHX2P2RX7ROCK2PPARGGRK3
SCHEMBL27914101 0.83 P2RX7 (0.47) EPHX2P2RX7ROCK2PRKCAGRK2
SCHEMBL27931932 0.81 KMT2A (0.52) KMT2AEPHX2L3MBTL1ROCK2PPARG
SCHEMBL2714842 0.80 GRK2 (0.55) EPHX2P2RX7PPARGGRK2
SCHEMBL3294867 0.79 P2RX7 (0.57) EPHX2P2RX7
SCHEMBL27913629 0.78 CD38 (0.47) P2RX7
SCHEMBL2717051 0.78 EPHX2 (0.49) EPHX2P2RX7PPARGGRK2
SCHEMBL2717522 0.78 SCN9A (0.51) EPHX2P2RX7PPARGGRK2
SCHEMBL30252237 0.77 P2RX7 (0.56) EPHX2P2RX7
SCHEMBL1568699 0.77 NAMPT (0.69) KMT2AL3MBTL1ROCK2PRKCGPRKCD

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-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN claimed
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN disclosed