SCHEMBL7769600

SCHEMBL7769600

C=CCOP(=O)(OCC=C)C(Cl)=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7765151 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7766969 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177066 0.74 MAPK1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177069 0.74 MAPK1 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL30525114 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177462 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6182290 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6182286 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL7769598 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL6176233 0.70 ALDH1A1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880531-B1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AG (DE) 2001-06-20 EP disclosed
US-6100218-A WHERE THE PHENYL IS SUBSTITUTED IN THE 3-POSITION BY A PHOSPHONO (OR OXYGEN, SULFUR AND/OR NITROGEN VARIATION, THEREOF)ALKYL GROUP; BETTER TARGETED CONTROL OF UNDESIRABLEPLANTS; DESICCANTS/DEFOLIANTS; CROPS, E.G. COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed