SCHEMBL31474433

SCHEMBL31474433

Nc1cccc(N)c1N.[N].[P]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.55
CYP3A4 P08684 6/20 0.50
ALDH1A1 P00352 6/20 0.50
TSHR P16473 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
CASP1 P29466 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3CA P42336 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
KEAP1 Q14145 1/20 0.41
NR4A2 P43354 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL94635 0.93
Hydrochloric Acid SCHEMBL7784412 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL28448539 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL28450972 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL17110965 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL9700979 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
Charcoal, Activated SCHEMBL29548810 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL30335755 0.89 CD44 (0.58) CD44CYP3A4ALDH1A1TSHRHSD17B10
Boric Acid SCHEMBL28513000 0.80 CD44 (0.50) CD44CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL560128 0.76 ALDH1A1 (0.56) CD44CYP3A4ALDH1A1TSHRHSD17B10

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-118878985-B Crosslinked starch-based biodegradable plastic and preparation method thereof 中山市新领航塑化科技有限公司 2025-04-01 CN claimed
CN-118878985-B Crosslinked starch-based biodegradable plastic and preparation method thereof 中山市新领航塑化科技有限公司 2025-04-01 CN disclosed