SCHEMBL20182233

SCHEMBL20182233

COCCNC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.68
NR4A2 P43354 1/20 0.61
CREBBP Q92793 1/20 0.61
KDM4E B2RXH2 3/20 0.60
LMNA P02545 3/20 0.60
HSD17B10 Q99714 1/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 2/20 0.56
ALOX5 P09917 1/20 0.56

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
SCHEMBL7399821 0.87 NR4A2 (0.63) PYGLNR4A2CREBBPLMNAHDAC1
SCHEMBL10288963 0.85 HDAC1 (0.62) NR4A2CREBBPLMNAHDAC1HDAC2
SCHEMBL18406531 0.85 PYGL (0.52) PYGLNR4A2CREBBPKDM4ELMNA
SCHEMBL18412278 0.84 HDAC1 (0.55) PYGLNR4A2CREBBPLMNAHDAC1
SCHEMBL23175280 0.83 ALOX5 (0.76) NR4A2CREBBPLMNAHDAC1HDAC2
SCHEMBL29988433 0.83 ALOX5 (0.76) NR4A2CREBBPLMNAHDAC1HDAC2
SCHEMBL10244787 0.83 HDAC1 (0.67) NR4A2CREBBPHDAC1HDAC2HDAC3
SCHEMBL31588418 0.82 CTNNB1 (0.68) NR4A2CREBBPLMNASMN1; SMN2NPC1
SCHEMBL20267057 0.82 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13753665 0.82 NR4A2 (0.57) NR4A2CREBBPKDM4EHSD17B10NPC1

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-3541817-B1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed