SCHEMBL7782045

SCHEMBL7782045

COC(=O)CCCCc1cscn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MIF P14174 1/20 0.39
MAPT P10636 2/20 0.38
KAT2B Q92831 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
LTB4R Q15722 1/20 0.35

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
SCHEMBL7270380 0.89 TSHR (0.40) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7186166 0.79 TBXAS1 (0.45) TSHRALDH1A1MAPTLMNA
SCHEMBL5672910 0.78 MAPK1 (0.47) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2091687 0.73 ALDH1A1 (0.33) HPGDTSHRALDH1A1MAPK1NPSR1
SCHEMBL2097744 0.73 ALDH1A1 (0.33) HPGDTSHRALDH1A1MAPK1NPSR1
SCHEMBL4888615 0.73 MAPK1 (0.41) TSHRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11266906 0.73 GABRA5 (0.47) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4077786 0.72 KCNH2 (0.44) TSHRALDH1A1SMN1; SMN2MIFLMNA
SCHEMBL15568312 0.72 TBXAS1 (0.43) HPGDTSHRALDH1A1SMN1; SMN2MIF
SCHEMBL6643882 0.71 SMN1; SMN2 (0.55) HPGDALDH1A1SMN1; SMN2LMNALTB4R

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-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed