SCHEMBL8919804

SCHEMBL8919804

O=c1oc2cc(Br)cnc2n1CCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 1/20 0.39
NPC1 O15118 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4B Q07343 1/20 0.36
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
IMPDH2 P12268 2/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8626898 0.88 TSHR (0.56) LMNATSHRALDH1A1MAPK1IDO1
SCHEMBL8918560 0.82 LMNA (0.38) LMNATSHRALDH1A1MAPK1IDO1
SCHEMBL8918636 0.80 HSD17B10 (0.43) LMNATSHRALDH1A1MAPK1NPC1
SCHEMBL17418888 0.75 PDE4B (0.43) LMNATSHRALDH1A1MAPK1NPC1
SCHEMBL8918139 0.75 HSD17B10 (0.38) TSHRALDH1A1MAPK1NPC1MEN1
SCHEMBL7316292 0.75 NPC1 (0.63) LMNATSHRALDH1A1MAPK1IDO1
SCHEMBL8918642 0.71 ALDH1A1 (0.36) LMNATSHRALDH1A1MAPK1NPC1
SCHEMBL8627148 0.71 PDE4B (0.36) LMNATSHRALDH1A1MAPK1NPC1
SCHEMBL7328412 0.71 HSD17B10 (0.53) LMNATSHRALDH1A1NPC1MEN1
SCHEMBL8918738 0.71 ALDH1A1 (0.50) LMNATSHRALDH1A1MAPK1IDO1

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
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed