SCHEMBL10831772

SCHEMBL10831772

Cc1ccc(NN)c2c1CC(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.42
MAOB P27338 4/20 0.42
POLL Q9UGP5 1/20 0.40
PARP1 P09874 4/20 0.38
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 1/20 0.31

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
SCHEMBL10961483 0.84 HPGD (0.38) MAOAMAOBPOLLHPGDNISCH
SCHEMBL7817693 0.80 MAOA (0.50) MAOAMAOBPOLLPARP1BRD4
SCHEMBL18181606 0.80 MAOA (0.50) MAOAMAOBPOLLPARP1BRD4
SCHEMBL10831325 0.77 PARP1 (0.51) MAOAMAOBPOLLPARP1BRD4
SCHEMBL10831092 0.74 POLL (0.42) MAOAMAOBPOLLPARP1KDM4E
SCHEMBL10852030 0.71 PARP1 (0.54) MAOAMAOBPARP1BRD4CREBBP
SCHEMBL10830897 0.68 MAOA (0.49) MAOAMAOBPOLLPARP1BRD4
SCHEMBL10966035 0.67 ALDH1A1 (0.57) ALDH1A1
SCHEMBL10955942 0.64 POLL (0.41) MAOAMAOBPOLLPARP1KDM4E
SCHEMBL10955937 0.64 POLL (0.41) MAOAMAOBPOLLPARP1KDM4E

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
US-4587259-A Miticidal 2-(2-methyl-2,3-dihydro-benzofuran-7-yl)hydrazinecarboxylic acid esters SHELL OIL COMPANY (US) 1986-05-06 US disclosed
US-4550121-A AGRICULTURE SHELL OIL COMPANY (US) 1985-10-29 US disclosed