SCHEMBL3926124

SCHEMBL3926124

Oc1ccc(O)c(N2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
GAA P10253 5/20 0.42
MEN1 O00255 5/20 0.42
NPC1 O15118 1/20 0.42
NR1I2 O75469 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 4/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
S100B P04271 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL17659019 1.00 KMT2A (0.42) KMT2AGAAMEN1NPC1NR1I2
SCHEMBL17659703 0.98 MEN1 (0.40) KMT2AGAAMEN1NPC1NR1I2
Piperazine SCHEMBL28186647 0.91 HTR5A (0.45) KMT2AGAAMEN1NPC1NR1I2
SCHEMBL17659681 0.89 GAA (0.41) KMT2AGAAMEN1NPC1NR1I2
SCHEMBL29236372 0.89 GAA (0.41) KMT2AGAAMEN1NPC1NR1I2
SCHEMBL11441903 0.83 ALDH1A1 (0.46) KMT2AGAAMEN1NPC1ALDH1A1
SCHEMBL19381288 0.82 ALDH1A1 (0.61) KMT2AGAAMEN1NPC1ALDH1A1
SCHEMBL19381117 0.82 ALDH1A1 (0.61) KMT2AGAAMEN1NPC1ALDH1A1
SCHEMBL19381146 0.82 ALDH1A1 (0.61) KMT2AGAAMEN1NPC1ALDH1A1
SCHEMBL19381290 0.82 ALDH1A1 (0.61) KMT2AGAAMEN1NPC1ALDH1A1

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
US-5714441-A SYNTHETIC POLYOL ESTER BASED STOCK, TRIAZINE DERIVATIVE, SULFUR-CONTAINING CARBOXYLIC ACID EXXON RESEARCH AND ENGINEERING COMPANY (US) 1998-02-03 US claimed
WO-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO disclosed
US-7506977-B1 Plastic spectacles lens HOPNIC LABORATORY CO., LTD. (JP) 2009-03-24 US disclosed