SCHEMBL7754286

SCHEMBL7754286

Nc1cc2cccc(N)c2cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 5/20 0.56
HPGD P15428 4/20 0.56
TSHR P16473 3/20 0.56
HSD17B10 Q99714 3/20 0.56
KEAP1 Q14145 1/20 0.56
TDP1 Q9NUW8 2/20 0.52
PLAU P00749 2/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
POLB P06746 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL29351158 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5545202 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL2891381 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29704534 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29364651 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL168479 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL31298085 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL14100436 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL31229508 0.81 PLAU (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL22497391 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710684-B1 Preparation process of polyhydroxycarboxylic acid MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed