SCHEMBL9737606

SCHEMBL9737606

CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nn2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC2A2 P11168 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL9737163 0.91 ALDH1A1 (0.43) KDM4ETDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9737130 0.90 L3MBTL1 (0.48) KDM4ETDP1L3MBTL1MEN1MAPT
SCHEMBL9737961 0.85 ALDH1A1 (0.43) ALDH1A1KCNK3KCNK9
SCHEMBL9737634 0.84 KDM4E (0.48) KDM4EL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9737862 0.84 TSPO (0.52) LMNA
SCHEMBL9737601 0.83 KDM4E (0.50) KDM4ETDP1L3MBTL1MEN1MAPT
SCHEMBL9738192 0.83 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL9738434 0.82 KCNQ3 (0.41) SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL9737572 0.79 TSPO (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9738542 0.78 TSPO (0.44) LMNA

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