SCHEMBL30415564

SCHEMBL30415564

O=c1ccccn1-n1ncc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
KMO O15229 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CYP1A2 P05177 1/20 0.35
DAO P14920 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
KAT2B Q92831 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
ELANE P08246 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL28618108 0.77 RECQL (0.41) RECQLKMOCYP1A2ADRA2AADRA2B
SCHEMBL11217292 0.70 POLB (0.41) RECQLKMODDB1CRBNCYP1A2
SCHEMBL1191487 0.70 MEN1 (0.40) RECQLCA12CA9GAACA1
SCHEMBL31491641 0.68 DDB1 (0.40) RECQLKMODDB1CRBNCYP1A2
Hydrochloric Acid SCHEMBL22609486 0.67 DDB1 (0.40) RECQLKMODDB1CRBNCYP1A2
SCHEMBL276288 0.66 RECQL (0.48) RECQLKMODDB1CRBNCYP1A2
SCHEMBL5215315 0.66 RECQL (0.41) RECQLKMODDB1CRBNCYP1A2
SCHEMBL29521056 0.66 RECQL (0.41) RECQLKMODDB1CRBNCYP1A2
SCHEMBL10500232 0.66 RECQL (0.41) RECQLKMODDB1CRBNCYP1A2
SCHEMBL27864821 0.66 RECQL (0.38) RECQLKMODDB1CRBNCYP1A2

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-4178954-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES AS MEDIATOR OF THE GLUCOCORTOID RECEPTOR Grünenthal GmbH (DE) 2023-05-17 EP claimed
EP-4178954-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES AS MEDIATOR OF THE GLUCOCORTOID RECEPTOR Grünenthal GmbH (DE) 2023-05-17 EP disclosed