SCHEMBL8138397

SCHEMBL8138397

CCOC(=O)N1CCC(Oc2nc3ccccc3n2Cc2csc(C)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
BRD4 O60885 2/20 0.39
SCN5A Q14524 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
SCHEMBL9536612 0.91 CHRM2 (0.42) KMT2AMEN1BLMCHRM2CHRM4
SCHEMBL8132057 0.83 KDM4E (0.52) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
SCHEMBL9535563 0.81 TP53 (0.51) ALDH1A1SMN1; SMN2L3MBTL1CHRM1GAA
SCHEMBL9535375 0.81 HRH1 (0.55) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
SCHEMBL8566268 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
SCHEMBL9538121 0.70 KDM4E (0.42) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
SCHEMBL9699749 0.70 KDM4E (0.51) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL9537163 0.70 KDM4E (0.42) ALDH1A1SMN1; SMN2TSHRHSD17B10KDM4E
SCHEMBL11022779 0.69 KMT2A (0.56) ALDH1A1SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL7629465 0.69 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539420-B1 SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-01-05 EP disclosed
WO-1992001697-A1 NOVEL SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed