SCHEMBL10085227

SCHEMBL10085227

O=NCC1c2ccccc2-c2c(C(=O)O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
HNF4A P41235 1/20 0.42
MYC P01106 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 2/20 0.38
FABP7 O15540 2/20 0.38
FABP5 Q01469 2/20 0.38
CYP2C9 P11712 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 2/20 0.36
FOLH1 Q04609 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
SCHEMBL8092638 0.83 HNF4A (0.50) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL1934919 0.77 ALDH1A1 (0.43) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL7724549 0.75 ALDH1A1 (0.45) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL16253851 0.73 KMT2A (0.51) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL5037458 0.72 ALDH1A1 (0.42) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL31670439 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL3552319 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL3552315 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL3552317 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNAL3MBTL1KMT2A
Carbamic Acid SCHEMBL31095127 0.71 KEAP1 (0.45) MAPTLMNAKMT2AMEN1MYC

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
WO-2012088522-A1 POLYMER-DES-ETHYL SUNITINIB CONJUGATES NEKTAR THERAPEUTICS (US) 2012-06-28 WO disclosed