SCHEMBL6180440

SCHEMBL6180440

CON=C(C(=O)OC)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL6177347 0.83 MAPK1 (0.52) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL29712887 0.83 MAPK1 (0.52) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL18356537 0.80 HIF1A (0.66) MAPK1ALDH1A1KDM4EPOLBHIF1A
SCHEMBL6174846 0.78 SMN1; SMN2 (0.52) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL31239091 0.78 SMN1; SMN2 (0.52) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL6177094 0.78 ALDH1A1 (0.52) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL6179024 0.77 ALDH1A1 (0.55) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL27433850 0.77 ALDH1A1 (0.55) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL27438241 0.77 L3MBTL1 (0.51) MAPK1ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL6175720 0.77 CYP3A4 (0.48) MAPK1ALDH1A1KDM4ESMN1; 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 3 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
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed