SCHEMBL24445457

SCHEMBL24445457

Cc1c(OCCCN(C)CCOCCN(C)CCCOc2cccc(-c3cccc(OCCCN4CCC(O)C4)c3C)c2C)cccc1-c1cccc(OCCCN2CCCC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 13/20 0.47
PDCD1 Q15116 5/20 0.45
VSIR Q9H7M9 4/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL19916357 1.00 CD274 (0.47) CD274PDCD1VSIRCYP2D6CYP2C19
SCHEMBL29615339 0.96 CD274 (0.48) CD274PDCD1VSIRALDH1A1KDM4E
SCHEMBL19897792 0.96 CD274 (0.48) CD274PDCD1VSIRALDH1A1KDM4E
SCHEMBL24445439 0.95 CD274 (0.49) CD274PDCD1VSIRCYP2D6CYP2C19
SCHEMBL19916135 0.95 CD274 (0.49) CD274PDCD1VSIRCYP2D6CYP2C19
SCHEMBL19939882 0.93 CD274 (0.44) CD274PDCD1VSIRALDH1A1HTT
SCHEMBL19939388 0.93 CD274 (0.45) CD274PDCD1VSIRALDH1A1KDM4E
SCHEMBL19939496 0.93 CD274 (0.45) CD274PDCD1VSIRALDH1A1KDM4E
SCHEMBL24445446 0.91 CD274 (0.46) CD274PDCD1VSIRALDH1A1KDM4E
SCHEMBL19897864 0.91 CD274 (0.49) CD274PDCD1VSIRALDH1A1KDM4E

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 disclosed