SCHEMBL19633701

SCHEMBL19633701

COc1ccc(COc2ccc3c(Cl)ccnc3c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
PDGFRA P16234 1/20 0.47
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
STAT1 P42224 1/20 0.44
EGFR P00533 1/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
PDE10A Q9Y233 2/20 0.42
RAB9A P51151 2/20 0.42
PDE2A O00408 1/20 0.42
ABCC4 O15439 1/20 0.42
PDE5A O76074 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL19633749 0.88 TUBB1 (0.54) CYP19A1CYP11B1CYP11B2EGFRALDH1A1
SCHEMBL19633702 0.87 TLR8 (0.48) CYP3A4RAB9AHTR1AADRA1DADRA1A
SCHEMBL29878333 0.79 CYP3A4 (0.58) LMNACYP3A4HIF1ARAB9ACYP1A2
SCHEMBL3898712 0.79 CYP3A4 (0.58) LMNACYP3A4HIF1ARAB9ACYP1A2
SCHEMBL29487151 0.79 MEN1 (0.51) PDGFRBPDGFRAEGFRPDE10ARAB9A
SCHEMBL22960002 0.79 MEN1 (0.51) PDGFRBPDGFRAEGFRPDE10ARAB9A
SCHEMBL201122 0.78 HTR1A (0.58) EGFRLMNAMAPK1CYP1A2KCNH2
SCHEMBL29362202 0.78 HTR1A (0.58) EGFRLMNAMAPK1CYP1A2KCNH2
SCHEMBL8602761 0.77 MAOA (0.46) EGFRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL19633699 0.76 GAK (0.57) PDGFRAEGFRHTR1AADRA1DADRA1A

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
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed