SCHEMBL789418

SCHEMBL789418

C(C#Cc1ccccc1)#Cc1ccccc1.OBOBO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RAB9A P51151 4/20 0.37
▸ FFAR1 O14842 3/20 0.37
▸ THPO P40225 1/20 0.37
▸ VCP P55072 1/20 0.36
▸ GRM5 P41594 2/20 0.35

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
SCHEMBL789416 0.85 APP (0.58) APPNPSR1NPC1MAPTCYP1A2
SCHEMBL403663 0.80 APP (0.73) APPNPSR1NPC1MAPTCYP1A2
SCHEMBL30495998 0.80 APP (0.73) APPNPSR1NPC1MAPTCYP1A2
SCHEMBL17312253 0.80 APP (0.73) APPNPSR1NPC1MAPTCYP1A2
Benzene SCHEMBL28733255 0.80 APP (0.73) APPNPSR1NPC1MAPTCYP1A2
SCHEMBL9121457 0.77 APP (0.69) APPNPSR1NPC1MAPTCYP1A2
SCHEMBL15313378 0.75 APP (0.58) APPNPSR1NPC1MAPTCYP1A2
Biphenyl SCHEMBL1848421 0.72 ALDH1A1 (0.53) MAPTCYP1A2CYP3A4KDM4EALDH1A1
Diphenylacetylene SCHEMBL27339044 0.71 APP (0.92) APPNPC1MAPTCYP1A2CYP3A4
Benzene SCHEMBL346129 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213800-B2 Covalent organic framework films, and methods of making and uses of same CORNELL UNIVERSITY (US) 2022-01-04 — — US disclosed
US-20140037944-A1 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2014-02-06 — — US disclosed
WO-2012037090-A2 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2012-03-22 — — WO disclosed
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