SCHEMBL6035973

SCHEMBL6035973

c1ccc(-c2scc3cnccc23)c(-c2scc3cnccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
TNF P01375 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CYP17A1 P05093 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL222187 0.81 KDM4E (0.41) HTTKDM4ECYP1A2LMNACYP3A4
SCHEMBL6240424 0.67 LMNA (0.63) HTTTNFKDM4ECYP1A2LMNA
SCHEMBL12912909 0.67 CYP17A1 (0.46) TNFKDM4ECYP1A2LMNACYP3A4
SCHEMBL26087020 0.67 ALDH1A1 (0.41) KDM4ECYP1A2LMNACYP3A4ALDH1A1
SCHEMBL11847242 0.67 LMNA (0.39) HTTKDM4ECYP1A2LMNACYP3A4
SCHEMBL17232438 0.67 KDM4E (0.39) HTTKDM4ECYP1A2LMNACYP3A4
SCHEMBL24621795 0.64 IKBKE (0.54) HTTTNFKDM4ECYP1A2LMNA
SCHEMBL9824826 0.64 TNF (0.58) TNFCYP1A2LMNACYP3A4CYP2D6
SCHEMBL6313115 0.64 CYP2A6 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6998015 0.64 TNF (0.73) HTTTNFKDM4ECYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096453-A Polymeric thin-film reversible electrochemical charge storage devices ADVEN POLYMERS, INC. (US) 2000-08-01 US claimed
WO-1999066572-A1 POLYMERIC THIN-FILM REVERSIBLE ELECTROCHEMICAL CHARGE STORAGE DEVICES ADVEN POLYMERS, INC. (US) 1999-12-23 WO claimed
WO-2006040754-A2 ARMOR INCLUDING NON-FILAMENTOUS SEMICRYSTALLINE POLYMER LAYER GLASSCERAX LTD. (IL) 2006-04-20 WO disclosed
US-6096453-A Polymeric thin-film reversible electrochemical charge storage devices ADVEN POLYMERS, INC. (US) 2000-08-01 US disclosed
WO-1999066572-A1 POLYMERIC THIN-FILM REVERSIBLE ELECTROCHEMICAL CHARGE STORAGE DEVICES ADVEN POLYMERS, INC. (US) 1999-12-23 WO disclosed