SCHEMBL5325699

SCHEMBL5325699

COc1ccc(N)c(C=C(Br)Br)c1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TTR P02766 3/20 0.38
EP300 Q09472 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
BRD4 O60885 1/20 0.36
FGB P02675 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ADORA2A P29274 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4886587 0.80 BCHE (0.42) L3MBTL1HTR1A
SCHEMBL14294239 0.74 CYP1A2 (0.39) MAPK1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL22588357 0.71 ALDH1A1 (0.55) IDO1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL11208196 0.68 MAPK1 (0.58) TTRALDH1A1MEN1KMT2AMAPK1
SCHEMBL954720 0.66 ABCG2 (0.46) ALDH1A1MAPK1SMN1; SMN2POLBMAPT
SCHEMBL5326968 0.66 MAOB (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL21295328 0.65 CYP1A2 (0.45) IDO1TTREP300KAT8ALDH1A1
SCHEMBL16096880 0.65 TTR (0.51) TTRALDH1A1KMT2AMAPK1RAB9A
SCHEMBL10766141 0.65 CYP1A2 (0.52) TTRALDH1A1MEN1KMT2ASMN1; SMN2
Diphenylether SCHEMBL28298596 0.65 ALDH1A1 (0.75) IDO1ALDH1A1MEN1KMT2AMAPK1

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-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed