SCHEMBL11269804

SCHEMBL11269804

O=c1c2c([nH]n1-c1ccccc1)CCC2

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.93
KMT2A Q03164 7/20 0.93
L3MBTL1 Q9Y468 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
ALDH1A1 P00352 3/20 0.66
POLB P06746 2/20 0.66
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.47
MPI P34949 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
AGTR1 P30556 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
MAPK10 P53779 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL3532027 0.97 MEN1 (1.00) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL3535509 0.95 MEN1 (0.97) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL11591539 0.83 MEN1 (0.67) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL1968898 0.80 MEN1 (0.67) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL10746273 0.80 MEN1 (0.71) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL11595466 0.79 MEN1 (0.69) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL23723002 0.78 KMT2A (0.71) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL31747051 0.78 KMT2A (0.71) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL2567610 0.76 GABRA1 (0.59) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL2306226 0.76 MEN1 (0.61) MEN1KMT2AL3MBTL1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315767-A Triazolone herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-16 US disclosed
US-4214891-A Triazolone herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-29 US disclosed
US-4139364-A Triazolone herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-02-13 US disclosed
US-4124374-A Alkyl-substituted cycloalkanapyrazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-11-07 US disclosed
US-4124373-A Tetrahydroindazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-11-07 US disclosed
US-4123252-A Methoxy substituted cycloalkanapyrazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-31 US disclosed
US-4111681-A CYCLOALKANAPYRAZOLE-3-CARBONITRILE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-09-05 US disclosed
US-4108628-A Cycloalkanopyrazole herbicides mixtures E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-08-22 US disclosed
US-4059434-A Cycloalkanapyrazole herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-11-22 US disclosed