SCHEMBL3214229

SCHEMBL3214229

c1coc(Cc2nc3ccccc3[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
EGFR P00533 3/20 0.58
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
ERBB2 P04626 2/20 0.55
DDAH1 O94760 1/20 0.53
POLB P06746 1/20 0.53
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
PKM P14618 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KRAS P01116 1/20 0.49
BCHE P06276 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL230024 0.80 GAA (0.78) GAAEGFRLMNATSHRERBB2
Bendazol SCHEMBL29539948 0.78 GAA (1.00) GAAALDH1A1KDM4EEGFRTSHR
Bendazol SCHEMBL309393 0.78 GAA (1.00) GAAALDH1A1KDM4EEGFRTSHR
Bendazol SCHEMBL27823120 0.76 GAA (0.96) GAAALDH1A1KDM4EEGFRTSHR
Bendazol SCHEMBL15015931 0.76 GAA (0.96) GAAALDH1A1KDM4EEGFRTSHR
SCHEMBL1883930 0.76 EGFR (0.59) GAAALDH1A1KDM4EEGFRLMNA
Iodomethane SCHEMBL27491515 0.75 GAA (0.70) GAALMNATSHRDDAH1POLB
SCHEMBL30230941 0.74 RAB9A (0.61) GAAALDH1A1KDM4ELMNATSHR
SCHEMBL9376689 0.73 GAA (0.77) GAAALDH1A1KDM4EEGFRLMNA
SCHEMBL22356617 0.73 GAA (0.77) GAAALDH1A1EGFRERBB2DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506207-B1 Pharmaceutical vehicles for reducing transdermal flux ACCESS PHARMA INC (US) 1999-11-17 EP claimed
EP-0872248-A2 Pharmaceutical vehicles for reducing transdermal flux Access Pharmaceuticals, Inc. (US) 1998-10-21 EP claimed
EP-0506207-A2 Pharmaceutical vehicles for reducing transdermal flux CHEMEX PHARMACEUTICALS, Inc. (US) 1992-09-30 EP claimed
US-4895727-A Using water soluble zinc compound CHEMEX PHARMACEUTICALS, INC. (US) 1990-01-23 US claimed
US-20100047195-A1 LIP BALM AND METHOD OF TREATING LIP CONDITIONS ELBAUM DAVID 2010-02-25 US disclosed
WO-2008144592-A1 LIP BALM AND METHOD OF TREATING LIP CONDITIONS ELBAUM DAVID (US) 2008-11-27 WO disclosed
EP-0506207-B1 Pharmaceutical vehicles for reducing transdermal flux ACCESS PHARMA INC (US) 1999-11-17 EP disclosed
EP-0872248-A2 Pharmaceutical vehicles for reducing transdermal flux Access Pharmaceuticals, Inc. (US) 1998-10-21 EP disclosed
EP-0506207-A2 Pharmaceutical vehicles for reducing transdermal flux CHEMEX PHARMACEUTICALS, Inc. (US) 1992-09-30 EP disclosed
US-4895727-A Using water soluble zinc compound CHEMEX PHARMACEUTICALS, INC. (US) 1990-01-23 US disclosed
WO-1988003799-A1 PHARMACEUTICAL VEHICLES FOR REDUCING TRANSDERMAL FLUX CHEMEX PHARMACEUTICALS, INC. (US) 1988-06-02 WO disclosed
EP-0221176-A4 PHARMACEUTICAL VEHICLES FOR RECUCING TRANSDERMAL FLUX. CHEMEX PHARMACEUTICALS INC (US) 1988-01-25 EP disclosed
EP-0221176-A1 PHARMACEUTICAL VEHICLES FOR RECUCING TRANSDERMAL FLUX. CHEMEX PHARMACEUTICALS INC (US) 1987-05-13 EP disclosed
WO-1986006586-A1 PHARMACEUTICAL VEHICLES FOR RECUCING TRANSDERMAL FLUX CHEMEX PHARMACEUTICALS, INC. (US) 1986-11-20 WO disclosed