SCHEMBL78167

SCHEMBL78167

CC(C)(C)c1ccc(OCCOc2ccccc2Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 6/20 0.48
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL78506 0.85 L3MBTL1 (0.44) KMT2AL3MBTL1RAB9AMAPTHPGD
SCHEMBL78439 0.80 L3MBTL1 (0.63) KMT2AL3MBTL1RAB9AMAPTHPGD
SCHEMBL13165244 0.78 KDM4E (0.41) KMT2AL3MBTL1RAB9AMAPTHPGD
SCHEMBL10289208 0.78 L3MBTL1 (0.49) KMT2AL3MBTL1RAB9AMAPTHPGD
SCHEMBL78925 0.77 L3MBTL1 (0.45) L3MBTL1RAB9AMAPTHPGDTDP1
SCHEMBL12109478 0.76 ACACB (0.47) KMT2AL3MBTL1RAB9AMAPTHPGD
SCHEMBL9808263 0.75 L3MBTL1 (0.68) KMT2AL3MBTL1RAB9AMAPTHPGD
SCHEMBL78449 0.75 SCN8A (0.40) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL270846 0.74 SMN1; SMN2 (0.44) KMT2ARAB9AMAPTHPGDALDH1A1
SCHEMBL10223604 0.74 POLB (0.45) KMT2AL3MBTL1RAB9AMAPTHPGD

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