SCHEMBL9737699

SCHEMBL9737699

O=C(O)Cc1c(-c2ccccc2)nn2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
APOBEC3A P31941 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL9737283 0.90 PTGDR2 (0.47) PTGDR2ALDH1A1KDM4EAPOBEC3APTGS2
SCHEMBL9737634 0.90 KDM4E (0.48) PTGDR2ALDH1A1KDM4EAPOBEC3AL3MBTL1
SCHEMBL9738233 0.89 KCNQ3 (0.43) PTGDR2ALDH1A1KDM4EKCNQ3KCNQ2
SCHEMBL9737626 0.86 KCNQ3 (0.45) PTGDR2ALDH1A1KDM4EKCNQ3KCNQ2
SCHEMBL9738747 0.86 ALDH1A1 (0.45) PTGDR2ALDH1A1KCNQ3KCNQ2APOBEC3A
SCHEMBL9737130 0.84 L3MBTL1 (0.48) ALDH1A1KDM4EL3MBTL1
SCHEMBL18116342 0.84 HTR1B (0.44)
SCHEMBL9737796 0.82 GABRA2 (0.47)
SCHEMBL8810290 0.78 EGFR (0.50) PTGDR2ALDH1A1KDM4E
SCHEMBL9737491 0.78 PTGS2 (0.41) PTGDR2ALDH1A1KDM4EKCNQ3KCNQ2

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 3 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
US-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US disclosed