SCHEMBL5159873

SCHEMBL5159873

Cc1cc(-c2cc(C)[n+](C)c(C)c2)cc(C)[n+]1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL2601901 0.79 ALDH1A1 (0.37) KDM4EHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL20364015 0.78 SMN1; SMN2 (0.50) KDM4EHTTSMN1; SMN2CYP3A4
Water SCHEMBL3791699 0.76 ALDH1A1 (0.35) KDM4EHTTSMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7252277 0.76 KDM4E (0.38) KDM4EHTTSMN1; SMN2ALDH1A1TSHR
Iodide SCHEMBL8748435 0.76 ALDH1A1 (0.35) KDM4EHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL17768446 0.65 KDM4E (0.35) KDM4EHTTSMN1; SMN2ALDH1A1TP53
SCHEMBL6033654 0.63 QDPR (0.37) KDM4EHTTSMN1; SMN2TDP1
Water SCHEMBL22654522 0.62 ACHE (0.35) KDM4EHTTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL20180372 0.62
SCHEMBL19458118 0.57 KDM4E (0.36) KDM4ECYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4606798-A METHYLVIOLOGEN ELECTRON-TRANSFER AGENT, PLATINUM CATALYST MODIFIED BY WATER SOLUBLE DIVALENT SULFUR COMPOUND TO INHIBIT HYDROGENATION SIDE-REACTIONS THE COMMONWEALTH OF AUSTRALIA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1986-08-19 US claimed
EP-0073142-A2 Modified catalysts for the solar reduction of water COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1983-03-02 EP claimed
US-20180112127-A1 ELECTROCHROMIC MEDIA AND DEVICES WITH MULTIPLE COLOR STATES GENTEX CORPORATION 2018-04-26 US disclosed
EP-1457813-B1 An improved electrochromic medium capable of producing a pre-selected color GENTEX CORP (US) 2007-01-24 EP disclosed
EP-1457813-A2 An improved electrochromic medium capable of producing a pre-selected color Gentex Corporation (US) 2004-09-15 EP disclosed
EP-0972227-B1 AN IMPROVED ELECTROCHROMIC MEDIUM CAPABLE OF PRODUCING A PRE-SELECTED COLOR GENTEX CORP (US) 2004-07-14 EP disclosed
US-6037471-A FOR ELECTROCHROMIC MIRRORS FOR MOTOR VEHICLES GENTEX CORPORATION (US) 2000-03-14 US disclosed
US-6020987-A Electrochromic medium capable of producing a pre-selected color GENTEX CORPORATION (US) 2000-02-01 US disclosed
US-5998617-A MIXTURE OF ELECTROACTIVE MATERIALS AT PRESELECTIVE CONCENTRATION; GRAY COLOR GENTEX CORPORATION (US) 1999-12-07 US disclosed
US-4606798-A METHYLVIOLOGEN ELECTRON-TRANSFER AGENT, PLATINUM CATALYST MODIFIED BY WATER SOLUBLE DIVALENT SULFUR COMPOUND TO INHIBIT HYDROGENATION SIDE-REACTIONS THE COMMONWEALTH OF AUSTRALIA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1986-08-19 US disclosed
EP-0073142-A2 Modified catalysts for the solar reduction of water COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1983-03-02 EP disclosed