SCHEMBL18318902

SCHEMBL18318902

CCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(C#Cc4ccc(C(=O)O)cc4)c4nc(c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.42
▸ CYCS P99999 3/20 0.37
▸ RARB P10826 9/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MPL P40238 2/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ PTPRO Q16827 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ RARG P13631 1/20 0.32

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
SCHEMBL14769818 0.89 TOP1 (0.47) TOP1CYCSRARBRARAPTGES
SCHEMBL14773226 0.86 TOP1 (0.44) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL29367085 0.83 TOP1 (0.38) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL30733249 0.70 TOP1 (0.43) TOP1CYCSRARBALDH1A1
SCHEMBL16868834 0.70 TOP1 (0.36) TOP1CYCS
SCHEMBL18318906 0.69 RARB (0.38) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL29768893 0.69 TOP1 (0.42) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL16868838 0.69 STAT3 (0.37) TOP1CYCS
SCHEMBL25393456 0.69 TOP1 (0.56) TOP1CYCSRARBALDH1A1RARA
SCHEMBL30469523 0.69 TP53 (0.38) TOP1RARBALDH1A1

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
US-10695723-B2 Dye sensitized photoactive surfaces MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-06-30 — — US disclosed
US-20160367946-A1 DYE SENSITIZED PHOTOACTIVE SURFACES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-22 — — US disclosed
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