SCHEMBL6854840

SCHEMBL6854840

CN(C)c1cccc(C(O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
CYP19A1 P11511 2/20 0.44
NR1H3 Q13133 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.40
KCNN4 O15554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1450207 0.82 SLC2A1 (0.83) SLC2A1ALDH1A1TSHRCYP19A1NR1H3
SCHEMBL14384030 0.82 SLC2A1 (0.83) SLC2A1ALDH1A1TSHRCYP19A1NR1H3
SCHEMBL17942172 0.81 ALDH1A1 (0.46) SLC2A1ALDH1A1TSHRNR1H3CRHBP
Hydrochloric Acid SCHEMBL29837416 0.80 SLC2A1 (0.79) SLC2A1ALDH1A1TSHRCYP19A1NR1H3
SCHEMBL10923509 0.80 ALDH1A1 (0.52) SLC2A1ALDH1A1TSHRNR1H3KMT2A
SCHEMBL16284366 0.78 ESR1 (0.47) ALDH1A1TSHRNR1H3KMT2AL3MBTL1
SCHEMBL7812347 0.75 ALDH1A1 (0.50) SLC2A1ALDH1A1TSHRKMT2ACYP2D6
SCHEMBL17942209 0.75 GABRA1 (0.46) SLC2A1ALDH1A1TSHRCYP19A1NR1H3
SCHEMBL30901511 0.74 TSHR (0.48) ALDH1A1TSHRKMT2AMAPK1GAA
SCHEMBL17506577 0.74 CYP19A1 (0.51) TSHRCYP19A1KMT2ACYP2D6ACHE

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-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed
EP-1173519-B1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed
EP-1173519-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
WO-2000064986-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL HEINZ (DE) 2000-11-02 WO disclosed