SCHEMBL8020077

SCHEMBL8020077

CCC(Oc1ccc(I)cc1I)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
FAAH O00519 2/20 0.44
TSHR P16473 4/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 2/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL8035824 0.85 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8035752 0.82 PPARA (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8029589 0.81 TSHR (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
Hydrochloric Acid SCHEMBL8887455 0.80 TSHR (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8020090 0.79 SIGMAR1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8033345 0.78 PPARG (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL5064012 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8033255 0.77 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8035741 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH
SCHEMBL8020104 0.76 LMNA (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1FAAH

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
EP-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed