SCHEMBL5087686

SCHEMBL5087686

C=C(CCCSc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 5/20 0.67
HPGD P15428 3/20 0.67
POLB P06746 3/20 0.67
TSHR P16473 2/20 0.67
MAPK1 P28482 2/20 0.67
HSD17B10 Q99714 1/20 0.67
LMNA P02545 6/20 0.62
HTT P42858 4/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
RECQL P46063 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ATM Q13315 1/20 0.58
ALOX5 P09917 1/20 0.57
APEX1 P27695 1/20 0.57

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
SCHEMBL3497943 0.87 SMN1; SMN2 (0.84) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL10535954 0.83 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL13164429 0.82 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL14155879 0.82 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL144880 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL29367809 0.81 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL29229036 0.80 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL6141647 0.79 CYP1A2 (0.83) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL8412717 0.78 CYP1A2 (0.75) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL28621136 0.78 CYP1A2 (0.75) SMN1; SMN2ALDH1A1HPGDPOLBTSHR

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
US-20080145545-A1 METAL OXIDE AND SULFUR-CONTAINING COATING COMPOSITIONS, METHODS OF USE, AND ARTICLES PREPARED THEREFROM CITIBANK, N.A., AS COLLATERAL AGENT 2008-06-19 US disclosed