SCHEMBL5365877

SCHEMBL5365877

CCOC(=O)c1n[nH]cc1Cn1c(C)cc(-c2ccc(C#N)cc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MAPT P10636 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 5/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
SLC34A1 Q06495 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CYP11B2 P19099 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL14347747 0.80 MAPT (0.39) ELANEMAPTTDP1KDM4EHPGD
SCHEMBL5362630 0.79 AR (0.41) MAPTKDM4ELMNASMN1; SMN2CYP11B2
SCHEMBL5357688 0.79 CYP11B2 (0.36) MAPTKDM4ELMNASMN1; SMN2CYP11B2
SCHEMBL14348314 0.77 AR (0.42) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL5362436 0.76 CYP11B2 (0.40) MAPTKDM4ELMNASMN1; SMN2CYP11B2
SCHEMBL4917436 0.74 TSHR (0.48) MAPTTDP1KDM4EHPGDALDH1A1
SCHEMBL5487110 0.74 KMT2A (0.40) ELANEMAPTTDP1KDM4EHPGD
SCHEMBL4914037 0.74 AR (0.50) MAPTTDP1KDM4EHPGDALDH1A1
SCHEMBL5353839 0.73 KMT2A (0.39) ELANEMAPTTDP1KDM4EHPGD
SCHEMBL13362172 0.73 CYP11B2 (0.39) MAPTKDM4ELMNASMN1; SMN2CYP11B2

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-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed