SCHEMBL28215330

SCHEMBL28215330

CC(C)(C)Oc1ccc(CN)cc1NC(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.41
GSTO1 P78417 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
CSNK2A1 P68400 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18579731 0.82 ALDH1A1 (0.59) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL28215323 0.80 KDM4E (0.47) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL27612477 0.73 CA1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL18579521 0.71 ALDH1A1 (0.56) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL22173643 0.69 KMT2A (0.55) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL30663604 0.69 KMT2A (0.55) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL17101064 0.69 KDR (0.49) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL27580045 0.68 NPC1 (0.59) KDM4ENPC1MITFRAB9AALDH1A1
Hydrochloric Acid SCHEMBL9488289 0.68 RAD52 (0.62) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL16098600 0.68 GSTO1 (0.48) KDM4ENPC1MITFTHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-05-11 CN disclosed