SCHEMBL11487263

SCHEMBL11487263

CCOC(=O)C(C)c1ccc(-n2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GCGR P47871 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 1/20 0.42
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
TNIK Q9UKE5 1/20 0.41
PDE2A O00408 1/20 0.41
PIK3CD O00329 1/20 0.40

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
SCHEMBL11488797 0.86 JAK2 (0.46) JAK2JAK3POLBRXFP1GCGR
SCHEMBL11488794 0.86 JAK2 (0.46) JAK2JAK3POLBRXFP1GCGR
SCHEMBL11486278 0.85 NOTUM (0.45) JAK2JAK3POLBRXFP1GCGR
SCHEMBL27821022 0.83 POLB (0.51) POLBGCGRKDM4EALDH1A1MAPK1
SCHEMBL7670225 0.82 LMNA (0.51) JAK2JAK3POLBRXFP1GCGR
SCHEMBL11495989 0.81 POLB (0.50) POLBGCGRKDM4EALDH1A1MAPK1
SCHEMBL11492623 0.80 HCRTR1 (0.37) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11492673 0.80 CHRM1 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1363765 0.79 RXFP1 (0.61) JAK2JAK3POLBRXFP1KDM4E
SCHEMBL2573180 0.78 JAK2 (0.42) JAK2JAK3POLBRXFP1KDM4E

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
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed