SCHEMBL15540355

SCHEMBL15540355

COc1ccccc1Cc1ccccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
CYP2C9 P11712 1/20 0.52
HIF1A Q16665 1/20 0.52
MAPK8 P45983 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52
CTSD P07339 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RCE1 Q9Y256 1/20 0.51
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
IDO1 P14902 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL28348830 0.87 HPGD (0.50) HPGDMAPK8PARP14PARP10CTSD
SCHEMBL3728595 0.85 GAA (0.53) CYP2C9HIF1AMAPK8PARP14PARP10
SCHEMBL3091346 0.84 KMT2A (0.54) HPGDMAPK8PARP14PARP10KDM4E
SCHEMBL5685628 0.84 HTR7 (0.52) HPGDKDM4ELMNAHTTIRAK4
SCHEMBL7134588 0.84 TSHR (0.54) HPGDCYP2C9HIF1AKDM4EALDH1A1
SCHEMBL582321 0.81 CA2 (0.54) CYP2C9HIF1AALDH1A1LMNAHTT
SCHEMBL7866112 0.80 KDM4E (0.50) CYP2C9HIF1APARP14PARP10KDM4E
SCHEMBL264288 0.80 IRAK4 (0.63) HPGDCTSDALDH1A1LMNASMN1; SMN2
SCHEMBL29423358 0.80 IRAK4 (0.63) HPGDCTSDALDH1A1LMNASMN1; SMN2
SCHEMBL3296809 0.80 IDO1 (0.61) ALDH1A1LMNASMN1; SMN2IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861561-A2 AMIDOPHENOXYPROPANOLAMINES Medizinische Universität Wien (AT) 2015-04-22 EP disclosed
WO-2013186153-A2 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2013-12-19 WO disclosed