SCHEMBL9979704

SCHEMBL9979704

CO/N=C\c1ccc(-c2ccccc2NC(=O)c2cn(C)nc2C(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
IRAK4 Q9NWZ3 9/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM3 P20309 3/20 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
SCHEMBL23748525 1.00 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL9979548 1.00 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL343590 0.88 CHRM3 (0.39) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL343589 0.88 CHRM3 (0.39) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL4790543 0.88 IRAK4 (0.37) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL4790540 0.88 IRAK4 (0.37) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL13215928 0.87 CHRM3 (0.41) IRAK4CHRM3
SCHEMBL14781428 0.86 ATM (0.42) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL9979550 0.86 ATM (0.55) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL14578389 0.85 LMNA (0.47) ALDH1A1LMNAKDM4EMAPTHTT

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