SCHEMBL9705894

SCHEMBL9705894

O=C1[N]CCCN1Cc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.39
BRD4 O60885 1/20 0.39
HTR1B P28222 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP2 Q13822 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DAO P14920 1/20 0.37
MIF P14174 4/20 0.37
CD74 P04233 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9704692 0.91 BCL2L1 (0.40) BCL2L1BRD4HTR1BMEN1POLB
SCHEMBL9704480 0.82 L3MBTL1 (0.41) L3MBTL1
SCHEMBL5982177 0.82 L3MBTL1 (0.54) MEN1POLBKMT2ACYP2C9CYP2C19
SCHEMBL9704364 0.80 CMA1 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15152924 0.78 L3MBTL1 (0.58) POLBKMT2AL3MBTL1
SCHEMBL8799328 0.77 L3MBTL1 (0.65) KMT2AMIFCD74L3MBTL1
SCHEMBL29872721 0.75 L3MBTL1 (0.68) KMT2ACYP2C9MIFCD74L3MBTL1
SCHEMBL5548109 0.74 ALDH1A1 (0.50) MEN1POLBKMT2AL3MBTL1CHRM2
SCHEMBL5537145 0.74 SMN1; SMN2 (0.50) BRD4MEN1KMT2AKDM4ETDP1
SCHEMBL5539504 0.74 MAPT (0.60) MEN1KMT2AMAPTCYP2C9CYP2C19

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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed