SCHEMBL3532703

SCHEMBL3532703

OC/C=C\CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.38
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
DUSP3 P51452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL1467291 1.00 KDM4E (0.45) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL1467290 1.00 KDM4E (0.45) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL10748084 0.88 KDM4E (0.44) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL10748936 0.88 KDM4E (0.44) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL8782038 0.83 MEN1 (0.30)
SCHEMBL21872268 0.81 KDM4E (0.41) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL3750098 0.79 USP2 (0.43) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL1467148 0.78 LTA4H (0.36) ALDH1A1POLBGAA
SCHEMBL3531020 0.78 LTA4H (0.36) ALDH1A1POLBGAA
SCHEMBL1466735 0.78 LTA4H (0.36) ALDH1A1POLBGAA

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-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed