SCHEMBL28024743

SCHEMBL28024743

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(CO)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.76
KCNK3 O14649 2/20 0.67
KCNK9 Q9NPC2 1/20 0.66
P2RX1 P51575 1/20 0.66
LMNA P02545 1/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PTGS1 P23219 2/20 0.64
HTT P42858 2/20 0.64
RAB9A P51151 1/20 0.64
RXFP1 Q9HBX9 5/20 0.62
TSHR P16473 2/20 0.61
USP2 O75604 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.59
DDR2 Q16832 1/20 0.59
NTRK1 P04629 1/20 0.58
NTRK2 Q16620 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL15847352 0.88 MAPT (0.74) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL4286068 0.87 MAPT (0.94) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL15847043 0.83 KCNK3 (0.92) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL4683413 0.83 KCNK3 (0.88) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL17052860 0.83 MAPT (0.70) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL24141032 0.82 MAPT (0.84) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL5335860 0.82 KMT2A (0.62) MAPTKCNK3KCNK9LMNAMEN1
SCHEMBL15847037 0.82 MAPT (0.64) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL2493221 0.82 MAPT (0.88) MAPTKCNK3KCNK9P2RX1LMNA
SCHEMBL826721 0.82 MAPT (0.83) MAPTKCNK3KCNK9P2RX1LMNA

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
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed