Sugi Predict

Sugi Predict / Compounds / Propaquizafop

Propaquizafop

Propaquizafop

SCHEMBL8984115

CC(C)=NOCCOC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.CC(C)N(C(=O)CCl)c1ccccc1.CC(C)Nc1nc(Cl)nc(NC(C)C)n1.CC(C)OC(=O)Nc1ccccc1.CCC(=O)Nc1ccc(Cl)c(Cl)c1.CSc1nc(NC(C)C)nc(NC(C)C)n1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
Propaquizafop SCHEMBL28163665 0.79 MAPT (0.49) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propaquizafop SCHEMBL9739797 0.79 MAPT (0.49) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propazine SCHEMBL9699546 0.77 LMNA (0.41) ALDH1A1LMNACYP3A4MAPTSMN1; SMN2
Propaquizafop SCHEMBL28163652 0.76 MAPT (0.52) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propaquizafop SCHEMBL9706927 0.73 LMNA (0.41) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propaquizafop SCHEMBL2317541 0.72 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propaquizafop SCHEMBL9136963 0.70 MAPT (0.61) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propaquizafop SCHEMBL43925 0.70 MAPT (0.61) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propaquizafop SCHEMBL54333 0.70 MAPT (0.61) ALDH1A1LMNACYP1A2CYP3A4MAPT
Propazine SCHEMBL9700542 0.69 CYP3A4 (0.50) ALDH1A1LMNACYP3A4MAPTHTT

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
EP-0714420-A1 MOULD-RESISTANT EMULSION PAINTS BAYER AG (DE) 1996-06-05 — — EP disclosed
WO-1995006091-A1 MOULD-RESISTANT EMULSION PAINTS BAYER AKTIENGESELLSCHAFT (DE) 1995-03-02 — — WO disclosed