SCHEMBL4386650

SCHEMBL4386650

Oc1ccccc1C(=NCCN=C(c1ccccc1)c1ccccc1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 1/20 0.50
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4386647 1.00 GSTA1 (0.50) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL14365937 0.92 GSTA1 (0.47) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL14365938 0.92 GSTA1 (0.47) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL14143432 0.85 GSTA1 (0.45) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL13006110 0.82 CYP1A2 (0.62) ALDH1A1CA12CA1CA2CA7
SCHEMBL5896900 0.79 MGLL (0.59) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL17548950 0.79 MGLL (0.59) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL6711422 0.78 GSTA1 (0.51) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL6711416 0.78 GSTA1 (0.51) GSTA1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL14278749 0.76 HPGD (0.60) HPGDKDM4EALDH1A1SMN1; SMN2CYP3A4

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
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed