SCHEMBL28795649

SCHEMBL28795649

COc1ccc2ccc(O)c(Br)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 1/20 0.46
ERN1 O75460 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MPL P40238 1/20 0.43
NPC1 O15118 3/20 0.42

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
SCHEMBL1359473 0.87 ESR1 (0.53) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL29218980 0.81 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1305457 0.81 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13456015 0.79 CA12 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28136342 0.79 ESR2 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31686262 0.78 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29032162 0.78 ALDH1A1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3188467 0.78 CYP17A1 (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29032197 0.78 CYP2A6 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL19382614 0.77 CYP1A2 (0.61) POLBMEN1KMT2AKDM4EALDH1A1

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
CN-114835630-A Method for synthesizing spiro [ cyclohexenone-1, 2' -indoline ] skeleton 武汉工程大学 2022-08-02 CN disclosed