SCHEMBL6178807

SCHEMBL6178807

O=S(=O)(Nc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM1A O60341 2/20 0.50
MCL1 Q07820 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCR9 P51686 1/20 0.43

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
SCHEMBL6174998 0.84 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1MCL1
SCHEMBL6176641 0.79 MCL1 (0.46) MEN1KMT2ATDP1ALDH1A1MCL1
SCHEMBL6175342 0.78 ALDH1A1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL1474306 0.78 LMNA (0.71) MEN1KMT2ATDP1ALDH1A1MCL1
SCHEMBL8010576 0.77 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6177104 0.74 MCL1 (0.45) MEN1KMT2ATDP1ALDH1A1MCL1
SCHEMBL6177491 0.74 ALDH1A1 (0.48) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL10826418 0.74 KDM1A (0.62) KDM1AMCL1SMN1; SMN2MAPTLMNA
SCHEMBL1471975 0.74 LMNA (0.72) MEN1KMT2ATDP1ALDH1A1MCL1
SCHEMBL27501382 0.74 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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-0708756-B1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AG (DE) 2005-06-01 EP disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0708756-A1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed