SCHEMBL28861449

SCHEMBL28861449

CCCCCNc1ccc(NC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
KCNH3 Q9ULD8 2/20 0.47
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PRSS1 P07477 6/20 0.42
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
EPHX1 P07099 1/20 0.41
ADRA2A P08913 1/20 0.40
PLK1 P53350 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40

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
SCHEMBL9011408 0.98 ABL1 (0.53) ABL1KCNH3MAPTALDH1A1PRSS1
SCHEMBL1241959 0.91 ABL1 (0.56) ABL1KCNH3MAPTALDH1A1PRSS1
SCHEMBL33646 0.91 MAPT (0.50) MAPTALDH1A1PRSS1F2PRSS2
SCHEMBL28657745 0.90 ALDH1A1 (0.59) ABL1KCNH3MAPTALDH1A1EPHX1
SCHEMBL11476522 0.89 ABL1 (0.59) ABL1KCNH3MAPTALDH1A1PRSS1
SCHEMBL187892 0.89 ABL1 (0.59) ABL1KCNH3MAPTALDH1A1PRSS1
Hydrochloric Acid SCHEMBL11696545 0.89 PRSS1 (0.50) KCNH3MAPTALDH1A1PRSS1F2
SCHEMBL16439908 0.89 ABL1 (0.59) ABL1KCNH3MAPTALDH1A1PRSS1
SCHEMBL9506930 0.89 ABL1 (0.59) ABL1KCNH3MAPTALDH1A1PRSS1
SCHEMBL2720066 0.89 ABL1 (0.59) ABL1KCNH3MAPTALDH1A1PRSS1

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
CN-108884291-A Acrylic polymer compositions 日本瑞翁株式会社 2018-11-23 CN disclosed
CN-105623794-B Gas turbine lubricating oil additive composition 中国石油天然气股份有限公司 2018-09-04 CN disclosed