SCHEMBL28293150

SCHEMBL28293150

COc1cccc(CC2=CSCN2[C@@H](Cc2ccc([N+](=O)[O-])cc2)c2csc(C3CC3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HTT P42858 2/20 0.34
ADORA2A P29274 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
TP53 P04637 1/20 0.34
SLC29A1 Q99808 1/20 0.34
PTPRB P23467 2/20 0.33
CCR2 P41597 1/20 0.33
LTA4H P09960 1/20 0.33
BACE1 P56817 1/20 0.32
ALPL P05186 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28293151 1.00 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL28245452 0.88 PTPRB (0.34) ALDH1A1KMT2APTPRBCCR2LTA4H
SCHEMBL500280 0.77 PTPRB (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL500279 0.77 PTPRB (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL29794289 0.77 PTPRB (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1709804 0.71 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AHTT
Ammonia Solution, Strong SCHEMBL19894166 0.70 ADORA2A (0.35) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL683494 0.68 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL17429753 0.68 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2APOLB
Bromide SCHEMBL17419382 0.67 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2APTPRB

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-109771421-A The method for treating vascular leak syndrome 爱尔皮奥治疗有限公司 2019-05-21 CN disclosed