SCHEMBL78506

SCHEMBL78506

CC(C)(C)c1ccc(OCCOc2c(Cl)cccc2Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.39
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.33
LIPE Q05469 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL78925 0.86 L3MBTL1 (0.45) L3MBTL1HPGDRAB9AGAAMAPT
SCHEMBL78167 0.85 KMT2A (0.54) L3MBTL1KMT2AHPGDRAB9AGAA
SCHEMBL78449 0.84 SCN8A (0.40) KMT2ARAB9AMAPTSMN1; SMN2TSHR
SCHEMBL78164 0.79 OXTR (0.34) L3MBTL1KMT2AHPGDRAB9AMAPT
SCHEMBL78180 0.78 KDM4E (0.46) L3MBTL1KMT2ARAB9AGAAMAPT
SCHEMBL13165244 0.78 KDM4E (0.41) L3MBTL1KMT2AHPGDRAB9AMAPT
SCHEMBL78926 0.78 MAPT (0.38) L3MBTL1KMT2AHPGDRAB9AMAPT
SCHEMBL91185 0.78 L3MBTL1 (0.49) L3MBTL1KMT2AHPGDRAB9AGAA
SCHEMBL12109478 0.76 ACACB (0.47) L3MBTL1KMT2AHPGDRAB9AMAPT
SCHEMBL270846 0.74 SMN1; SMN2 (0.44) KMT2AHPGDRAB9AMAPTSMN1; SMN2

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed