SCHEMBL10656742

SCHEMBL10656742

O=c1c2c(c3ccccc3n1CCc1ccccc1)OCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CASR P41180 1/20 0.41
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL10656114 0.92 ALB (0.46) ALBBCHEACHEALDH1A1LMNA
SCHEMBL10659676 0.88 P2RX4 (0.51) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL10653946 0.83 PLK1 (0.47) ALBBCHEACHEALDH1A1LMNA
SCHEMBL10658458 0.81 P2RX4 (0.49) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL10659341 0.79 P2RX4 (0.47) ALBBCHEACHEALDH1A1LMNA
SCHEMBL10658072 0.77 PLK1 (0.45) ALBBCHEACHEALDH1A1LMNA
SCHEMBL10658406 0.76 MEN1 (0.44) ALDH1A1LMNATSHRMAPK1MEN1
SCHEMBL10655205 0.75 KMT2A (0.44) ALDH1A1LMNATSHRMAPK1MEN1
SCHEMBL10659511 0.75 HTR6 (0.48) ALDH1A1LMNATSHRMAPTSMN1; SMN2
SCHEMBL10657448 0.73 CNR1 (0.45) THRBMEN1KMT2AHDAC8HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed