SCHEMBL5596381

SCHEMBL5596381

N#CCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
S1PR2 O95136 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 6/20 0.38
HTT P42858 5/20 0.38
HSD17B10 Q99714 3/20 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
SCHEMBL7396523 0.85 ILK (0.41) TSHRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL5596770 0.83 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL7393436 0.83 ILK (0.44) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL7704510 0.83 HTR3A (0.46) TSHRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL5975398 0.74 IRAK4 (0.37) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5033422 0.72 MAPK9 (0.47) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL27645203 0.71 RAB9A (0.64) TSHRALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2883388 0.71 MAPK10 (0.58) TSHRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL5596710 0.70 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL5103637 0.70 ALDH1A1 (0.46) TSHRALDH1A1L3MBTL1KDM4EHPGD

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed