SCHEMBL6975261

SCHEMBL6975261

COc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 7/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 5/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 5/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MDM2 Q00987 1/20 0.51
MAPK1 P28482 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL6177440 0.83 ALDH1A1 (0.54) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6175342 0.83 ALDH1A1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6176543 0.81 ALDH1A1 (0.62) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL9790809 0.81 LMNA (0.67) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6977861 0.80 ALDH1A1 (0.60) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13500477 0.80 LMNA (0.51) KMT2ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27569583 0.79 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL8812412 0.79 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL28497341 0.79 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL27569580 0.79 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708769-B1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AG (DE) 2003-01-29 EP disclosed
US-6165941-A Substituted 2-phenylpyridines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed