SCHEMBL1042744

SCHEMBL1042744

O=C1C(F)=CC=C2C1=Nc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
HK1 P19367 1/20 0.41
GALK1 P51570 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3A P49840 11/20 0.38
GSK3B P49841 11/20 0.38
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
SRC P12931 2/20 0.38
CTRB1 P17538 2/20 0.38

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
SCHEMBL6573768 0.79 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9302961 0.77 MAPT (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28746696 0.76 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9303152 0.76 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29420631 0.74 GSK3A (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6571089 0.72 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1120300 0.71 MAPT (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29352286 0.71 MAPT (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL21316073 0.71 MEN1 (0.63) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL20595301 0.71 IDO1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA

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
EP-2448585-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-05-09 EP disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 WO disclosed