SCHEMBL25653166

SCHEMBL25653166

COC(=O)/C(=C/c1ccc(OC)cc1C)CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LY96 Q9Y6Y9 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CYP2C9 P11712 1/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL26565527 0.86 HPGD (0.40) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL2671455 0.75 CYP1A2 (0.56) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL2671454 0.75 CYP1A2 (0.56) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL20415711 0.70 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL17221126 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL17221128 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL17221124 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL20227828 0.69 MAPT (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3896958 0.69 MAPT (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3896955 0.69 MAPT (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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
WO-2023102378-A1 MACROCYCLIC COMPOUNDS HAVING FARNESYLTRANSFERASE INHIBITORY ACTIVITY KURA ONCOLOGY, INC. (US) 2023-06-08 WO disclosed