SCHEMBL10839827

SCHEMBL10839827

O=C(c1ccccc1)C1N(c2ccccc2)CC2CCCN21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
HIF1A Q16665 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4799227 0.87 NOTUM (0.43) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL4799232 0.87 NOTUM (0.43) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL14180297 0.85 KDM2B (0.45) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL4799260 0.85 ALDH1A1 (0.39) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL10839714 0.84 HRH3 (0.40) KDM4EKMT2AALDH1A1HPGDPOLB
SCHEMBL4801000 0.81 AGTR2 (0.42) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL10839275 0.81 HRH3 (0.38) KDM4EKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL10839670 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1HTTHPGD
SCHEMBL10839706 0.78 ALDH1A1 (0.49) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL10838330 0.74 HPGD (0.35) KDM4EHPGDMAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4584387-A INTERMEDIATES FOR ALPHA-HYDROXY ALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-22 US disclosed
EP-0050351-B1 OPTICALLY ACTIVE OR RACEMIC ALPHA-HYDROXYALDEHYDES AND BENZYL DERIVATIVES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-03-27 EP disclosed
US-4383122-A HYDROCARBOYL-1,3-DIAZABICYCLO(3.3.0)OCTANE, GRIGNARD REAGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-10 US disclosed
EP-0011417-B1 OPTICALLY ACTIVE OR RACEMIC AMINAL DERIVATIVES, PROCESS FOR PREPARING SAME AND FOR CONVERTING SAME TO ALPHA-HYDROXYALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-04 EP disclosed
US-4337346-A CONDENSATION OF A GLYOXAL WITH AN N-SUBSTITUTED AMINOMETHYLPYRROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
EP-0011417-A1 Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-28 EP disclosed