SCHEMBL7687680

SCHEMBL7687680

COc1ccc(C(C#N)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.56
PKM P14618 1/20 0.56
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7692277 0.80 GAA (0.67) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL4961217 0.73 L3MBTL1 (0.81) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL7688613 0.73 L3MBTL1 (1.00) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL14921128 0.71 L3MBTL1 (0.60) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL18292261 0.71 L3MBTL1 (0.64) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL13754130 0.68 MAPK1 (0.70) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL783618 0.68 L3MBTL1 (0.56) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL8301624 0.68 CYP1A2 (0.54) ALDH1A1KDM4ELMNAKMT2AHPGD
Hydrochloric Acid SCHEMBL784570 0.68 L3MBTL1 (0.59) L3MBTL1ALDH1A1PKMGAAMAPT
SCHEMBL9967732 0.66 KMT2A (0.61) L3MBTL1ALDH1A1PKMGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337305-B1 HERBICIDES FOR AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0968188-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998042671-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed