SCHEMBL29954048

SCHEMBL29954048

O=Cc1nccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.39
AXL P30530 2/20 0.39
DRD1 P21728 6/20 0.38
IDO1 P14902 1/20 0.37
METAP2 P50579 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METTL3 Q86U44 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
SCHEMBL382320 0.75 NOS1 (0.52) NOS1AXLDRD1IDO1METAP2
SCHEMBL29366567 0.75 NOS1 (0.52) NOS1AXLDRD1IDO1METAP2
SCHEMBL28395556 0.72 TRPA1 (0.41) AXLDRD1JAK2CCR1CCR5
SCHEMBL26116145 0.71 NOS1 (0.52) NOS1AXLDRD1IDO1METAP2
SCHEMBL1155424 0.71 NOS1 (0.42) NOS1AXLDRD1IDO1METAP2
SCHEMBL8802690 0.71 DRD1 (0.54) NOS1AXLDRD1IDO1
SCHEMBL31509830 0.71 NOS1 (0.52) NOS1AXLDRD1IDO1METAP2
SCHEMBL400011 0.71 RET (0.48) NOS1AXLDRD1IDO1METAP2
SCHEMBL568939 0.70 PDE3B (0.51) NOS1AXLDRD1IDO1METAP2
SCHEMBL29935824 0.70 NOS1 (0.39) NOS1IDO1CDK2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed