SCHEMBL27972799

SCHEMBL27972799

CC(=O)Oc1ccnnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CYP3A4 P08684 3/20 0.41
ELANE P08246 1/20 0.41
GLA P06280 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.40
F2 P00734 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL185926 0.85 HCAR2 (0.48) LMNAHCAR2ELANEHSD17B10KMT2A
SCHEMBL13134216 0.81 KMT2A (0.46) MAPTPOLBHCAR2ELANEHSD17B10
SCHEMBL6628850 0.79 HCAR2 (0.42) MAPTHCAR2HSD17B10ALDH1A1KMT2A
SCHEMBL27950383 0.79 HCAR2 (0.42) HCAR2HSD17B10KMT2A
SCHEMBL18917196 0.76 KMT2A (0.44) LMNAMAPTPOLBHCAR2HSD17B10
SCHEMBL701147 0.76 LMNA (0.58) LMNAMAPTPOLBPKMCYP3A4
Hydrochloric Acid SCHEMBL2327786 0.74 LMNA (0.56) LMNAMAPTPOLBPKMCYP3A4
Hydrochloric Acid SCHEMBL27539616 0.74 LMNA (0.56) LMNAMAPTPOLBPKMCYP3A4
SCHEMBL29655599 0.73 KMT2A (0.58) LMNAMAPTPKMCYP3A4ALDH1A1
SCHEMBL909511 0.73 KMT2A (0.58) LMNAMAPTPKMCYP3A4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863151-A Fused tricyclic pyridazinone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2019-06-07 CN claimed
CN-109863151-A Fused tricyclic pyridazinone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2019-06-07 CN disclosed
CN-104822670-A 5-phenoxy-3h-pyrimidin-4-one derivatives and their use as HIV reverse transcriptase inhibitors MERCK SHARP & DOHME 2015-08-05 CN disclosed
CN-103930406-A 1-pyridazinyl-hydroxyimino- 3- phenyl- propanes as GPBAR1 agonists HOFFMANN LA ROCHE 2014-07-16 CN disclosed