SCHEMBL21391490

SCHEMBL21391490

Cc1ccc(N2CCc3cc(C)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.54
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
UBE2N P61088 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNQ2 O43526 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SRD5A2 P31213 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL12288734 0.89 ALDH1A1 (0.55) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288764 0.87 SRD5A1 (0.47) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288766 0.87 SRD5A1 (0.50) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288762 0.87 SRD5A1 (0.50) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288782 0.86 SRD5A1 (0.50) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12307047 0.84 SRD5A1 (0.56) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288760 0.83 SRD5A1 (0.54) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288763 0.83 ALDH1A1 (0.44) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12307044 0.81 SMN1; SMN2 (0.54) SRD5A1NOTUMALDH1A1TP53KDM4E
SCHEMBL12288784 0.81 SRD5A1 (0.42) SRD5A1NOTUMALDH1A1TP53KDM4E

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
WO-2019182071-A1 LIQUID CRYSTAL ALIGNMENT AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed