SCHEMBL9737130

SCHEMBL9737130

CCOC(=O)Cc1c(-c2ccccc2)nn2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 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
SCHEMBL9737163 0.92 ALDH1A1 (0.43) L3MBTL1NPSR1TDP1KDM4EHPGD
SCHEMBL9737606 0.90 KDM4E (0.49) L3MBTL1TDP1KDM4EMEN1KMT2A
SCHEMBL9737699 0.84 PTGDR2 (0.46) L3MBTL1KDM4EALDH1A1
SCHEMBL18116342 0.84 HTR1B (0.44) LMNA
SCHEMBL9738747 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL9737796 0.82 GABRA2 (0.47)
SCHEMBL9738233 0.82 KCNQ3 (0.43) L3MBTL1KDM4EHPGDALDH1A1MAPK1
SCHEMBL23013190 0.81 EGFR (0.54) L3MBTL1NPSR1KDM4EMEN1KMT2A
SCHEMBL9737626 0.81 KCNQ3 (0.45) KDM4EHPGDALDH1A1
SCHEMBL9737283 0.80 PTGDR2 (0.47) KDM4EALDH1A1LMNA

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