SCHEMBL9979528

SCHEMBL9979528

CO/N=C\c1cc(-c2ccccc2NC(=O)c2cn(C)nc2C(F)(F)F)ccc1/C=N/OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
NTRK1 P04629 2/20 0.40
STING1 Q86WV6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
WDR5 P61964 2/20 0.36
CHRM3 P20309 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TSHR P16473 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL343329 0.93 NTRK1 (0.43) LMNAPOLBNTRK1STING1KDM4E
SCHEMBL343328 0.93 NTRK1 (0.43) LMNAPOLBNTRK1STING1KDM4E
SCHEMBL9979549 0.92 LMNA (0.46) LMNAPOLBNTRK1STING1KDM4E
SCHEMBL14578389 0.89 LMNA (0.47) LMNAPOLBNTRK1STING1KDM4E
SCHEMBL9979547 0.89 LMNA (0.47) LMNAPOLBNTRK1STING1KDM4E
SCHEMBL14578312 0.88 LMNA (0.44) LMNAPOLBNTRK1STING1KDM4E
SCHEMBL9979686 0.82 LMNA (0.36) LMNAPOLBHTTGAANPSR1
SCHEMBL10213365 0.81 ATM (0.48) LMNAPOLBNTRK1KDM4EALDH1A1
SCHEMBL14137826 0.81 NTRK1 (0.46) LMNAPOLBNTRK1STING1ATM
SCHEMBL9979682 0.81 LMNA (0.49) LMNAPOLBNTRK1STING1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed