SCHEMBL9683096

SCHEMBL9683096

COc1nc(OC)nc(Oc2ccccc2C=O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ERN1 O75460 3/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
SRC P12931 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL11616668 0.91 LMNA (0.62) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL31657764 0.91 LMNA (0.62) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7877115 0.85 CYP1A2 (0.55) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9237442 0.81 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9477684 0.78 CYP1A2 (0.48) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL2074740 0.78 ALDH1A1 (0.68) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
2-Methoxybenzaldehyde SCHEMBL8469378 0.77 ALDH1A1 (0.66) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
2-Methoxybenzaldehyde SCHEMBL29358929 0.77 ALDH1A1 (0.66) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
2-Methoxybenzaldehyde SCHEMBL66490 0.77 ALDH1A1 (0.66) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4434944 0.77 LMNA (0.75) ALDH1A1LMNACYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167693-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 US disclosed
US-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed
EP-0459243-A2 Substituted Azines BAYER AG (DE) 1991-12-04 EP disclosed
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed