SCHEMBL27997397

SCHEMBL27997397

Clc1ccccc1-c1ncnc2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
DPP4 P27487 1/20 0.41
SIGMAR1 Q99720 1/20 0.38
MAPK14 Q16539 4/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
CYP2A6 P11509 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 1/20 0.34
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27997641 0.77 PI4KA (0.43) SMN1; SMN2MAPK14MAPK11NPC1RAB9A
SCHEMBL27997621 0.74 ADORA2A (0.46) SMN1; SMN2TP53HPGDALDH1A1KDM4E
SCHEMBL27997637 0.72 CYP11B1 (0.41) SMN1; SMN2TP53HPGDALDH1A1KDM4E
SCHEMBL17508366 0.71 ADORA2A (0.43) SMN1; SMN2MAPK14TP53HPGDALDH1A1
SCHEMBL29985972 0.68 SMN1; SMN2 (0.67) SMN1; SMN2SIGMAR1RAB9AALDH1A1KDM4E
SCHEMBL6338383 0.68 SMN1; SMN2 (0.67) SMN1; SMN2SIGMAR1RAB9AALDH1A1KDM4E
SCHEMBL17508367 0.68 PIK3CG (0.40) MAPK14MAPK13MAPK12MAPK11
Benzene SCHEMBL2213570 0.67 PDE4A (0.34) SMN1; SMN2
SCHEMBL20821396 0.67 DPP4 (0.65) SMN1; SMN2DPP4CYP2A6NPC1RAB9A
SCHEMBL1915790 0.67 DPP4 (0.54) SMN1; SMN2DPP4CYP2A6NPC1RAB9A

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-104725369-B Phenthazine containing binary and imidazole derivative, preparation method and organic luminescent device 吉林奥来德光电材料股份有限公司 2017-11-21 CN disclosed
CN-104725369-A Binary phenothiazine imidazole derivative, preparation method and organic light emitting device JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2015-06-24 CN disclosed