SCHEMBL10653282

SCHEMBL10653282

C(=C/c1ccc(-c2cc[nH]n2)cc1)\c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ KDM4E B2RXH2 6/20 0.32
▸ CYP1A2 P05177 5/20 0.32
▸ MAPT P10636 5/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ CYP3A4 P08684 4/20 0.31
▸ CYP2C9 P11712 4/20 0.31
▸ HPGD P15428 3/20 0.31
▸ CYP2C19 P33261 3/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31

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
SCHEMBL10653287 1.00 ALOX5 (0.33) ALOX5NFKB1NFKB2RELAALOX12
SCHEMBL16766999 0.86 LMNA (0.36) CYP1A2MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL27607863 0.85 ALDH1A1 (0.44) ALOX5KDM4EMAPTALDH1A1MAPK1
SCHEMBL25181319 0.83 ALDH1A1 (0.44) MAPTALDH1A1MEN1TP53KMT2A
SCHEMBL7030925 0.83 DRD1 (0.39) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29044190 0.79 MAOB (0.42) MAPTALDH1A1MAPK1CA12CA1
SCHEMBL27698415 0.77 CYP19A1 (0.39) RELAKDM4ECYP1A2MAPTALDH1A1
SCHEMBL16800868 0.76 CYP1A2 (0.45) NFKB1NFKB2RELAKDM4ECYP1A2
SCHEMBL1645103 0.76 METAP2 (0.50) MAPTNPC1RAB9ACA12MEN1
SCHEMBL1260621 0.76 LMNA (0.32) LMNAMEN1KMT2A

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-0045279-B1 AMINE OXIDE COMPOUNDS, PROCESSES FOR THEIR MANUFACTURE AND THEIR USE AS OPTICAL BRIGHTENERS CIBA-GEIGY AG (CH) 1988-06-01 — — EP claimed
US-4539161-A OPTICAL BRIGHTNERS, FLUORESCENT DYES CIBA-GEIGY CORPORATION (US) 1985-09-03 — — US disclosed
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