SCHEMBL11230016

SCHEMBL11230016

O=S(=O)(O)c1ccc2oc(-c3ccc(N4CCCCC4)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PTPN2 P17706 8/20 0.46
▸ PTPN1 P18031 8/20 0.46
▸ PTPN5 P54829 8/20 0.46
▸ HSPD1 P10809 6/20 0.46
▸ HSPE1 P61604 6/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.45
▸ MAPT P10636 2/20 0.44
▸ UTRN P46939 2/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ AHR P35869 1/20 0.44

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
SCHEMBL11242605 0.99 KDM4E (0.47) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL325885 0.86 ESR1 (0.57) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL14614442 0.81 PTPN1 (0.52) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL9112458 0.80 NPC1 (0.61) KDM4EALDH1A1NPC1HPGDHTT
SCHEMBL2240641 0.80 RAB9A (0.67) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL13994723 0.80 PTPN1 (0.57) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL11238508 0.80 RAB9A (0.66) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL2242855 0.80 PTPN2 (0.64) KDM4EALDH1A1KMT2ANPC1HPGD
SCHEMBL1675514 0.80 HDAC6 (0.56) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL11385246 0.79 PTGS2 (0.45) KDM4EALDH1A1KMT2AHDAC6UTRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250315-A 2-(SUBSTITUTED AMINO-PHENYL), SULFONIC ACID SUBSTITUTED HOFFMANN-LA ROCHE INC. (US) 1981-02-10 — — US claimed
EP-0012178-A1 Benzoxazol derivatives, methods for their preparation, cosmetic compositions containing such compounds, use of such compounds as UV-A filters and method of protecting the skin and hair and method of stabilizing cosmetic compositions Richardson-Vicks, Inc. (US) 1980-06-25 — — EP claimed
EP-0012178-B1 BENZOXAZOL DERIVATIVES, METHODS FOR THEIR PREPARATION, COSMETIC COMPOSITIONS CONTAINING SUCH COMPOUNDS, USE OF SUCH COMPOUNDS AS UV-A FILTERS AND METHOD OF PROTECTING THE SKIN AND HAIR AND METHOD OF STABILIZING COSMETIC COMPOSITIONS Richardson-Vicks, Inc. (US) 1982-12-08 — — EP disclosed
US-4250315-A 2-(SUBSTITUTED AMINO-PHENYL), SULFONIC ACID SUBSTITUTED HOFFMANN-LA ROCHE INC. (US) 1981-02-10 — — US disclosed
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