SCHEMBL9054767

SCHEMBL9054767

Cc1c2ccccc2c2ccc3cc4ccccc4c4ccc1c2c34

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.63
FYN P06241 2/20 0.63
ACHE P22303 2/20 0.63
AHR P35869 2/20 0.63
ERBB2 P04626 1/20 0.63
MAOA P21397 1/20 0.63
HSD17B10 Q99714 7/20 0.58
HPGD P15428 6/20 0.58
TSHR P16473 5/20 0.58
HIF1A Q16665 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 2/20 0.58
CASP1 P29466 2/20 0.58
CYP3A4 P08684 2/20 0.58
RAB9A P51151 1/20 0.58
CASP7 P55210 1/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 8/20 0.48
THRB P10828 1/20 0.48
HPRT1 P00492 3/20 0.46

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
SCHEMBL2533061 0.86 CYP1A2 (0.83) CYP1A2FYNACHEAHRERBB2
SCHEMBL2536310 0.86 CYP1A2 (0.83) CYP1A2FYNACHEAHRERBB2
SCHEMBL6664017 0.85 CYP1A2 (0.63) CYP1A2FYNACHEAHRERBB2
SCHEMBL1288207 0.84 CYP1A2 (0.86) CYP1A2FYNACHEAHRERBB2
SCHEMBL29746490 0.84 CYP1A2 (0.86) CYP1A2FYNACHEAHRERBB2
SCHEMBL1096241 0.84 CYP1A2 (0.86) CYP1A2FYNACHEAHRERBB2
SCHEMBL30122951 0.84 CYP1A2 (0.86) CYP1A2FYNACHEAHRERBB2
SCHEMBL597767 0.83 CYP1A2 (0.60) CYP1A2FYNACHEAHRERBB2
SCHEMBL598697 0.82 HSD17B10 (0.64) CYP1A2FYNACHEAHRERBB2
SCHEMBL598886 0.81 CYP1A2 (0.74) CYP1A2FYNACHEAHRERBB2

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-0070686-B1 NON-RADIATIVE ENERGY TRANSFER IMMUNOCHEMICAL TECHNIQUE AMOCO CORPORATION (US) 1985-10-02 EP claimed
EP-0450594-B1 DNA probe signal amplification SEGEV DAVID (US) 1996-12-18 EP disclosed
US-5437977-A DNA probe signal amplification Segev, David (IL) 1995-08-01 US disclosed
EP-0450594-A2 DNA probe signal amplification Segev, David (US) 1991-10-09 EP disclosed