SCHEMBL9737601

SCHEMBL9737601

CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nn2cc(Cl)cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
SLC2A2 P11168 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 3/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9737606 0.83 KDM4E (0.49) KDM4ETDP1L3MBTL1MEN1MAPT
SCHEMBL9737524 0.75 TSPO (0.64)
SCHEMBL9737163 0.74 ALDH1A1 (0.43) KDM4ETDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9737130 0.73 L3MBTL1 (0.48) KDM4ETDP1L3MBTL1MEN1MAPT
SCHEMBL11727532 0.72 SLC2A2 (0.52) KDM4ETDP1L3MBTL1MEN1MAPT
SCHEMBL11242309 0.71 SLC2A2 (0.51) KDM4ETDP1L3MBTL1MEN1MAPT
SCHEMBL9737961 0.68 ALDH1A1 (0.43) ALDH1A1
SCHEMBL11256580 0.67 KDM4E (0.72) KDM4EMEN1KMT2ASLC2A2ALDH1A1
SCHEMBL9737862 0.67 TSPO (0.52) LMNAPOLB
SCHEMBL13172597 0.67 MAPT (0.50) KDM4ETDP1MEN1MAPTKMT2A

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-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US claimed
US-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US disclosed