SCHEMBL30799797

SCHEMBL30799797

O=C(Oc1ccc2[nH]cnc2c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ELANE P08246 1/20 0.42
HPGD P15428 4/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
CA2 P00918 2/20 0.39
MMP12 P39900 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 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
SCHEMBL15487283 1.00 PDGFRB (0.47) PDGFRBPDGFRAKMT2AHTTSMN1; SMN2
SCHEMBL30800021 0.94 KMT2A (0.55) PDGFRBPDGFRAKMT2AHTTSMN1; SMN2
SCHEMBL3997475 0.80 RAB9A (0.45) KMT2AHTTSMN1; SMN2TDP1HPGD
SCHEMBL30799511 0.80 RAB9A (0.45) KMT2AHTTSMN1; SMN2TDP1HPGD
SCHEMBL29743318 0.80 MMP12 (0.47) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL1875326 0.79 MMP12 (0.46) PDGFRBPDGFRAKMT2AHTTSMN1; SMN2
SCHEMBL6364795 0.79 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1HPGD
SCHEMBL30138396 0.78 HTR1A (0.48) PDGFRBPDGFRAKMT2ASMN1; SMN2ELANE
SCHEMBL15092190 0.77 PDGFRB (0.50) PDGFRBPDGFRAKMT2AHTTSMN1; SMN2
SCHEMBL4606421 0.77 MMP12 (0.47) KMT2AHTTPOLBMMP12KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512840-B1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS TSENG YUFENG JANE (US) 2024-03-06 EP claimed