SCHEMBL8300757

SCHEMBL8300757

CCCCOC(=O)C1Cc2ccc(N=C=S)c(C)c2N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL8300493 0.77 ALDH1A1 (0.39) LMNAALDH1A1TDP1MAPK1
SCHEMBL8434188 0.76 L3MBTL1 (0.38) LMNAALDH1A1L3MBTL1HPGDATM
Acetic Acid SCHEMBL8306059 0.73 L3MBTL1 (0.32) LMNAALDH1A1L3MBTL1HPGDATM
SCHEMBL14389910 0.70 LMNA (0.46) LMNAHSD17B10ALDH1A1TSHRKDM4E
Acetic Acid SCHEMBL8306061 0.70 L3MBTL1 (0.34) ALDH1A1L3MBTL1HPGDATMKDM4E
SCHEMBL27492109 0.69 GAA (0.54) LMNAHSD17B10ALDH1A1L3MBTL1TSHR
SCHEMBL11037027 0.68 ALDH1A1 (0.42) LMNAALDH1A1L3MBTL1HPGDATM
SCHEMBL8301307 0.68 HSD17B10 (0.39) LMNAHSD17B10ALDH1A1HPGDTSHR
SCHEMBL17918582 0.67 KMT2A (0.45) HSD17B10L3MBTL1TSHRTDP1KDM4E
SCHEMBL5935768 0.65 GAA (0.51) LMNAHSD17B10ALDH1A1TSHRKDM4E

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-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed