SCHEMBL11936898

SCHEMBL11936898

O=C(O)CN1C(=O)/C(=C/C=C/c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 5/20 0.78
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ MAPT P10636 4/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ NPC1 O15118 2/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ PTPN1 P18031 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ MMP3 P08254 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ DUSP26 Q9BV47 1/20 0.52
▸ PTPN12 Q05209 1/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ AKR1B10 O60218 1/20 0.51

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
SCHEMBL6886551 0.95 MEN1 (0.83) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL11936880 0.88 MEN1 (0.72) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL1315178 0.88 MAPT (1.00) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL10492259 0.88 MAPT (1.00) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6887148 0.85 MAPT (0.73) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL10492214 0.85 AKR1B1 (0.81) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL10492210 0.85 AKR1B1 (0.81) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL12327321 0.85 MEN1 (0.67) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6884815 0.84 MEN1 (0.93) AKR1B1MEN1KMT2AMAPTALDH1A1
SCHEMBL6884821 0.84 MEN1 (0.93) AKR1B1MEN1KMT2AMAPTALDH1A1

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-8227690-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 — — US disclosed
US-8227690-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 — — US disclosed
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