SCHEMBL6180406

SCHEMBL6180406

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL6177633 0.87 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6177440 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6176034 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6179880 0.78 MEN1 (0.49) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL9039063 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL8548969 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6174862 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6176968 0.74 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6177219 0.73 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL6177330 0.73 DYRK1A (0.46) ALDH1A1KDM4ESMN1; SMN2POLBNPC1

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