SCHEMBL8564216

SCHEMBL8564216

CCOCOc1c(C)cc(Br)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL941531 0.83 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL7222454 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL6716155 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL31405005 0.77 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2C19
SCHEMBL5568957 0.76 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL23906780 0.75 SCN4A (0.47) ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL27458128 0.75 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL27733271 0.72 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL3355925 0.72 MEN1 (0.45) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL27260304 0.72 HTR1A (0.34) KMT2AMAPT

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed