SCHEMBL29615149

SCHEMBL29615149

Cc1c(OCCCNC[C@H](O)CO)cccc1-c1cccc(OCCCN2CCCCC2)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CD274 Q9NZQ7 2/20 0.44
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL19937843 0.99 LMNA (0.48) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL19897549 0.87 ADRB2 (0.50) ALDH1A1KDM4EKMT2AMEN1CYP2D6
SCHEMBL19916256 0.87 ADRB2 (0.50) ALDH1A1KDM4EKMT2AMEN1CYP2D6
SCHEMBL19939515 0.86 ALDH1A1 (0.52) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL19897732 0.85 CD274 (0.52) ALDH1A1KDM4ECD274
SCHEMBL19897509 0.85 CD274 (0.52) ALDH1A1KDM4ECD274
SCHEMBL19897507 0.85 CD274 (0.52) ALDH1A1KDM4ECD274
SCHEMBL19897508 0.85 CD274 (0.52) ALDH1A1KDM4ECD274
SCHEMBL19916118 0.85 CYP2D6 (0.52) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL19937805 0.85 CYP2D6 (0.52) LMNAALDH1A1KDM4EKMT2AMEN1

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
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP claimed