SCHEMBL22011031

SCHEMBL22011031

CC(C)C(C)Oc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 4/20 0.34
AKT1 P31749 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL14704023 1.00 LMNA (0.40) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL14701613 0.81 LMNA (0.40) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL8129230 0.80 LMNA (0.55) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL27962523 0.76 LMNA (0.40) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL28806328 0.76 LMNA (0.40) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL12493182 0.76 LMNA (0.40) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL26315918 0.76 LMNA (0.40) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL5502781 0.76 LMNA (0.43) LMNAALDH1A1TP53MAPK1TDP1
SCHEMBL941113 0.75 CA4 (0.43) LMNAALDH1A1TP53CYP2C19KDM4E
SCHEMBL25882988 0.75 CA4 (0.43) LMNAALDH1A1TP53CYP2C19KDM4E

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed