SCHEMBL28004758

SCHEMBL28004758

NC(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
HSD11B1 P28845 2/20 0.47
RIPK2 O43353 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL18920657 0.86 SMN1; SMN2 (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2211636 0.85 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2204639 0.82 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11606815 0.77 FLT3 (0.49) ALDH1A1MAPTMAPK1ATMHPGD
Urea SCHEMBL28915393 0.76 PTGS2 (0.64) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL17153880 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL18423379 0.75 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL27039045 0.74 RIPK2 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8162436 0.74 TP53 (0.62) ALDH1A1MAPTKMT2APOLBMAPK1
SCHEMBL18422884 0.74 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB

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-105461749-A Water-soluble 1-phenyl-1H-tetrazole-5-thiol phosphate derivative LIU FANGXU 2016-04-06 CN claimed
CN-104356163-A Water-soluble 1-phenyl-5-tetrazole-thione organic phosphate derivative LIU FANGXU 2015-02-18 CN claimed
CN-105461749-A Water-soluble 1-phenyl-1H-tetrazole-5-thiol phosphate derivative LIU FANGXU 2016-04-06 CN disclosed
CN-104356163-A Water-soluble 1-phenyl-5-tetrazole-thione organic phosphate derivative LIU FANGXU 2015-02-18 CN disclosed