SCHEMBL9252736

SCHEMBL9252736

CCOC(=O)c1cc(C)cc2c1CCC/C2=N/O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.45
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
UBE2N P61088 1/20 0.44
ACHE P22303 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9252741 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1TSHRMAPK1UBE2N
SCHEMBL9252019 0.82 KDM4E (0.53) SMN1; SMN2TSHRACHEKDM4EALDH1A1
SCHEMBL9015425 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NPC1TSHRKDM4EALDH1A1
SCHEMBL9015429 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NPC1TSHRKDM4EALDH1A1
SCHEMBL9248939 0.78 ALDH1A1 (0.54) SMN1; SMN2TSHRKDM4EALDH1A1TP53
SCHEMBL9248944 0.78 ALDH1A1 (0.54) SMN1; SMN2TSHRKDM4EALDH1A1TP53
SCHEMBL705489 0.76 SMN1; SMN2 (0.57) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL705490 0.76 SMN1; SMN2 (0.57) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL14341897 0.75 SMN1; SMN2 (0.44) SMN1; SMN2NPC1TSHRMAPK1UBE2N
SCHEMBL30995620 0.71 CA12 (0.49) SMN1; SMN2NPC1TSHRACHEKDM4E

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-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed