SCHEMBL17801510

SCHEMBL17801510

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru]=Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31

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
Hydrochloric Acid SCHEMBL28414018 0.99 CYP19A1 (0.36) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL29620290 0.83 CYP19A1 (0.36) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL29860852 0.82 CYP19A1 (0.35) CYP19A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL3670820 0.82 POLB (0.38) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL29008407 0.82 CYP19A1 (0.30) CYP19A1
Hydrochloric Acid SCHEMBL2133160 0.82 POLB (0.38) DRD2ADRA1DADRA1AADRA1BMAPT
Hydrochloric Acid SCHEMBL14118040 0.82 POLB (0.38) DRD2ADRA1DADRA1AADRA1BMAPT
SCHEMBL17006054 0.81 MAPT (0.33) ALDH1A1MAPT
SCHEMBL29843859 0.81 MAPT (0.33) ALDH1A1MAPT
SCHEMBL23781890 0.80 CYP19A1 (0.35) CYP19A1DRD2ADRA1DADRA1AADRA1B

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
CN-113164941-A Catalyst system comprising a metathesis catalyst and at least one phenolic compound and process for the metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2021-07-23 CN disclosed
WO-2016089938-A1 POLYMERIC MATERIALS FOR DOWNHOLE ELECTRIC MOTORS SCHLUMBERGER CANADA LIMITED (CA) 2016-06-09 WO disclosed