SCHEMBL6177633

SCHEMBL6177633

CC(C)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 5/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 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
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 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

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
SCHEMBL6180406 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177440 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6179880 0.83 MEN1 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8006806 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8007432 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177219 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6174862 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176034 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177330 0.77 DYRK1A (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176872 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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