SCHEMBL10460993

SCHEMBL10460993

COC(=O)c1c(-c2ccccc2)n(C)c(C)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRA3 P34903 3/20 0.52
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GABRA2 P47869 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GABRA5 P31644 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL10462205 0.87 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3LMNA
SCHEMBL10463844 0.86 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9333910 0.85 COMT (0.44) GABRA1GABRG2GABRB3GABRA3LMNA
SCHEMBL10463753 0.84 COMT (0.43) GABRA1GABRG2GABRB3GABRA3LMNA
SCHEMBL10463752 0.81 COMT (0.42) GABRA1GABRG2GABRB3GABRA3LMNA
SCHEMBL25533294 0.77 KDM4E (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10469576 0.75 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9065796 0.74 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA3LMNA
SCHEMBL26031844 0.73 CYP2C19 (0.61) GABRA1GABRG2GABRB3GABRA3LMNA
SCHEMBL10462419 0.73 ALDH1A1 (0.57) LMNAALDH1A1GABRA2SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0040082-B1 NOVEL SUBSTITUTED OXONICOTINATES, THEIR USE AS PLANT GROWTH REGULATORS AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1984-04-25 EP disclosed
EP-0040082-A1 Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1981-11-18 EP disclosed