SCHEMBL5504671

SCHEMBL5504671

C=CCn1nnnc1CC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.46
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HRH1 P35367 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL252005 0.77 HSD11B1 (0.42) HSD11B1ALDH1A1RAB9ALMNATSHR
SCHEMBL1449523 0.75 HSD11B1 (0.49) HSD11B1ALDH1A1RAB9ALMNATSHR
SCHEMBL1449863 0.72 HPGD (0.58) HSD11B1ALDH1A1RAB9ATSHRHRH1
SCHEMBL15170827 0.70 RAB9A (0.38) HSD11B1ALDH1A1RAB9ALMNATSHR
SCHEMBL15170828 0.70 RAB9A (0.38) HSD11B1ALDH1A1RAB9ALMNATSHR
SCHEMBL2182851 0.69 DAGLA (0.65) HSD11B1ALDH1A1
SCHEMBL5139103 0.68 RAB9A (0.62) HSD11B1ALDH1A1RAB9ALMNATSHR
SCHEMBL1325460 0.68 RAB9A (0.45) RAB9ALMNASMN1; SMN2
SCHEMBL16199152 0.67 RAB9A (0.41) ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5592641 0.67 HSD11B1 (0.60) HSD11B1ALDH1A1RAB9ALMNATSHR

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-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP disclosed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 WO disclosed