SCHEMBL459230

SCHEMBL459230

COC(=O)c1ccc(-c2ncc(N)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ CA12 O43570 4/20 0.45
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ CA14 Q9ULX7 4/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ MYC P01106 1/20 0.45
▸ WDR5 P61964 1/20 0.45

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
SCHEMBL13680636 0.83 MAPT (0.58) MAPTKDM4EKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL18641536 0.80 LOXL2 (0.53) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL26759931 0.79 MAPT (0.51) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL7394802 0.78 CA1 (0.56) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL7392985 0.77 MMP2 (0.57) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL360517 0.77 CSNK2A2 (0.67) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL18667203 0.76 ALDH1A1 (0.49) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL15051048 0.76 CSNK2A1 (0.68) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4910418 0.76 CDC7 (0.52) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL13801095 0.74 KDM4E (0.68) MAPTKDM4EKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 — — EP disclosed
CN-103080086-A Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2013-05-01 — — CN disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 — — WO disclosed
Send feedback