SCHEMBL6861428

SCHEMBL6861428

c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)ccc5-4)c4cc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)ccc4-c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc43)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.41
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.36
TDP2 O95551 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL5847170 0.92 PDK2 (0.42) PDK2BACE1ALOX5RARBRARG
SCHEMBL5846572 0.88 PDK2 (0.47) PDK2BACE1ALOX5RARBRARG
SCHEMBL6860685 0.86 PDK2 (0.33) PDK2BACE1ALOX5TDP2LMNA
SCHEMBL5847178 0.86 PDK2 (0.46) PDK2BACE1ALOX5RARBRARG
SCHEMBL290998 0.83 PDK2 (0.55) PDK2ALOX5TDP2MAOAMAOB
SCHEMBL29986604 0.83 PDK2 (0.55) PDK2ALOX5TDP2MAOAMAOB
SCHEMBL545091 0.83 PDK2 (0.55) PDK2ALOX5TDP2MAOAMAOB
SCHEMBL6863559 0.82 PDK2 (0.47) PDK2TDP2RARBRARGRXRA
SCHEMBL6863550 0.82 PDK2 (0.46) PDK2BACE1ALOX5TDP2MAOA
SCHEMBL6861430 0.81 PDK2 (0.46) PDK2TDP2RARBRARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 US disclosed