SCHEMBL461111

SCHEMBL461111

C=CCc1cc(N)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
ACHE P22303 2/20 0.49
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
GLA P06280 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL29376725 1.00 NCF1 (0.50) NCF1ACHEALDH1A1KDM4EHPGD
SCHEMBL15648557 0.83 KDM4E (0.38) ACHEALDH1A1KDM4EHPGDGLA
SCHEMBL176044 0.80 MYC (0.41) ALDH1A1KDM4EHPGDNQO2RAB9A
SCHEMBL8912375 0.77 ACHE (0.58) NCF1ACHEALDH1A1KDM4EHPGD
SCHEMBL9709703 0.77 NCF1 (0.59) NCF1ACHEALDH1A1KDM4EHPGD
SCHEMBL8430983 0.77 NCF1 (0.55) NCF1ACHEALDH1A1KDM4EHPGD
SCHEMBL8907365 0.77 ACHE (0.58) NCF1ACHEALDH1A1KDM4EHPGD
SCHEMBL5421698 0.76 LMNA (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2NQO2
SCHEMBL8907361 0.76 ACHE (0.56) NCF1ACHEALDH1A1KDM4EHPGD
SCHEMBL8908598 0.76 ACHE (0.56) NCF1ACHEALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US claimed
WO-2025126917-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2025-06-19 WO disclosed
CN-113226247-A Resin composition for stereolithography 可乐丽则武齿科株式会社 2021-08-06 CN disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed