SCHEMBL19939874

SCHEMBL19939874

Cc1c(OCCCN(CCCO)CCc2ccccn2)cccc1-c1cccc(OCCCN(CCCO)CCc2ccccn2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
KCNA5 P22460 1/20 0.37
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
PDE5A O76074 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL19897519 0.86 SYK (0.37) SYKKDM4ETDP1CYP2D6CYP2C9
SCHEMBL19911761 0.86 SYK (0.37) SYKKDM4ETDP1CYP2D6CYP2C9
SCHEMBL19939448 0.80 KCNA5 (0.44) KCNA5
SCHEMBL29615262 0.80 HTR1B (0.41) KDM4ETDP1RECQLNPSR1MEN1
SCHEMBL19911752 0.80 HTR1B (0.41) KDM4ETDP1RECQLNPSR1MEN1
SCHEMBL30395683 0.79 MAPT (0.49) SYKKDM4ETDP1NPSR1MEN1
SCHEMBL19897545 0.77 KDM4E (0.44) KDM4EMEN1KMT2A
SCHEMBL19939438 0.75 KDM4E (0.34) KDM4EMEN1KMT2A
SCHEMBL19939537 0.74 NMT2 (0.44)
SCHEMBL24445448 0.73 CYP2D6 (0.49) KDM4ETDP1CYP2D6CYP2C19MEN1

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 2 patents. 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
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed