SCHEMBL6176640

SCHEMBL6176640

COCc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL8665917 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6175885 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL24485258 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6177440 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL7766977 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6177940 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL27458228 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6173817 0.79 MAPK1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL7762286 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6177219 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A

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