SCHEMBL14101965

SCHEMBL14101965

COc1cc(O)cc(-c2cc(Br)c(OCc3ccccc3)c3c2CCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
APP P05067 1/20 0.39
MGAM O43451 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
THRA P10827 1/20 0.38
MAOB P27338 1/20 0.38
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
BRD4 O60885 1/20 0.37
PTGER1 P34995 2/20 0.37

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
SCHEMBL4723149 0.93 MAOB (0.44) GAAMAPTTHRBMEN1KMT2A
SCHEMBL646805 0.75 ALDH1A1 (0.51) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4723735 0.71 DHODH (0.47) GAAMAPTTHRBMEN1KMT2A
SCHEMBL12772157 0.70 KMT2A (0.60) GAAMAPTTHRBMEN1KMT2A
SCHEMBL5791635 0.69 MAOB (0.69) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL25201648 0.66 MAOB (0.45) GAAMAPTTHRBDHODHTHRA
SCHEMBL31500322 0.66 MAPT (0.50) GAAMAPTTHRBMEN1KMT2A
SCHEMBL13508905 0.65 MAPT (0.45) GAAMAPTTHRBMEN1KMT2A
SCHEMBL2545199 0.64 ABCB1 (0.62) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL27453192 0.63 CYP1A2 (0.58) MAPTMEN1KMT2AABCB1LMNA

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed