SCHEMBL3229764

SCHEMBL3229764

CCCOc1cc(C)nc(Cl)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
FABP4 P15090 1/20 0.37
DHODH Q02127 1/20 0.37
RXRA P19793 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK8 P45983 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL6262091 0.82 SMN1; SMN2 (0.38) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL3729308 0.80 SMN1; SMN2 (0.40) ALDH1A1MAPK1SMN1; SMN2POLBMCOLN3
SCHEMBL23583482 0.80 ALDH1A1 (0.66) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL31518023 0.79 SMN1; SMN2 (0.53) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL26608574 0.79 SMN1; SMN2 (0.53) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL27666145 0.78 MCL1 (0.42) ALDH1A1SMN1; SMN2MCOLN3KMT2AHTT
SCHEMBL5843974 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL6259709 0.75 KCNQ3 (0.52) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL14661145 0.75 POLB (0.47) ALDH1A1MAPK1SMN1; SMN2POLBKMT2A
SCHEMBL3625286 0.74 KMT2A (0.53) ALDH1A1POLBKMT2AMEN1HTT

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
WO-2010078906-A2 HYDRAZIDES METHOD FOR PRODUCTION AND USE THEREOF AS HERBICIDE AND INSECTICIDE BAYER CROPSCIENCE AG (DE) 2010-07-15 WO disclosed
WO-2010009847-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, METHOD FOR THE PRODUCTION THEREOF, AND USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 WO disclosed
EP-2147919-A1 Heterocyclic substituted amides, method for their manufacture and their use as herbicides Bayer CropScience Aktiengesellschaft (DE) 2010-01-27 EP disclosed
WO-2005070889-A1 HERBICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-08-04 WO disclosed