SCHEMBL29513014

SCHEMBL29513014

Cc1cc(C)c(N)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
UHRF1 Q96T88 1/20 0.38
NR4A2 P43354 1/20 0.37

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
SCHEMBL3886713 1.00 POLB (0.53) POLBALDH1A1SMN1; SMN2MAPK1KDM4E
Ammonia Solution, Strong SCHEMBL415501 0.98 POLB (0.52) POLBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL1886976 0.83 POLB (0.45) POLBALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL30124712 0.83 POLB (0.45) POLBALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL5746102 0.81 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL29672030 0.81 NR4A2 (0.46) POLBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL30421541 0.81 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL15894463 0.81 NR4A2 (0.46) POLBALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL3208148 0.77 CYP3A4 (0.37) POLBALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL31206751 0.77 CYP3A4 (0.37) POLBALDH1A1SMN1; SMN2MAPK1HTT

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
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed