SCHEMBL6902741

SCHEMBL6902741

OCCn1nc(-c2cccc(Br)c2)cc1Oc1ccc(CF)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.36
PDE4B Q07343 1/20 0.34
MET P08581 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
HCRTR1 O43613 1/20 0.33
PDE4D Q08499 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL1659958 0.86 SMN1; SMN2 (0.38) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1660633 0.72 SLC6A4 (0.40) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1661852 0.70 PDE4B (0.41) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1662618 0.70 SMN1; SMN2 (0.34) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1658631 0.70 SMN1; SMN2 (0.39) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL14727761 0.66 SCN9A (0.32) METALDH1A1HPGDKDM4E
SCHEMBL6603014 0.65 ATM (0.49) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL10681289 0.63 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9877851 0.60 SMN1; SMN2 (0.49) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL21986617 0.60 SMN1; SMN2 (0.45) MEN1KMT2AMAPTSMN1; SMN2LMNA

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
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed