SCHEMBL9804683

SCHEMBL9804683

CCOC(=O)N/N=C(\c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 4/20 0.43
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL9804687 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2ABCB11CYP3A4TSHR
SCHEMBL9403700 0.85 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2ABCB11CYP3A4TSHR
SCHEMBL8682896 0.81 LMNA (0.60) SMN1; SMN2CYP1A2MEN1KMT2APKM
SCHEMBL260379 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALOX12HTT
SCHEMBL260380 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALOX12HTT
SCHEMBL8395979 0.78 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2ABCB11CYP3A4TSHR
SCHEMBL10971917 0.78 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AALOX12HTT
SCHEMBL11052170 0.76 L3MBTL1 (0.59) SMN1; SMN2MEN1KMT2AALOX12HTT
SCHEMBL8368026 0.74 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2ABCB11CYP3A4TSHR
SCHEMBL8368024 0.74 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2ABCB11CYP3A4TSHR

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
US-4983755-A Nematocides SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed