SCHEMBL5550995

SCHEMBL5550995

COC(=O)c1ccnc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
KDM5B Q9UGL1 3/20 0.55
KDM4E B2RXH2 2/20 0.52
KDM6B O15054 1/20 0.52
KDM5C P41229 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
KDM3A Q9Y4C1 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PPIA P62937 1/20 0.51
KDM5A P29375 2/20 0.48
JMJD6 Q6NYC1 1/20 0.48
PKM P14618 1/20 0.48
ACACB O00763 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL837794 0.85 NR4A2 (0.58) KDM5BKDM4EKDM6BKDM5CKDM4C
SCHEMBL30822604 0.82 GLRA1 (0.51) HPGDLMNAKDM5BKDM4CKDM5A
SCHEMBL27189260 0.82 GLRA1 (0.51) HPGDLMNAKDM5BKDM4CKDM5A
SCHEMBL13876023 0.82 MAOB (0.46) HPGDLMNAKDM5BKDM4EKDM4C
SCHEMBL15778481 0.81 KDM5A (0.57) HPGDLMNAKDM5BKDM4EKDM6B
SCHEMBL31562679 0.81 PPIA (0.50) HPGDLMNAKDM5BKDM4EKDM6B
SCHEMBL29173821 0.80 KDM4E (0.55) HPGDKDM5BKDM4EKDM6BKDM5C
SCHEMBL30931811 0.80 LMNA (0.59) HPGDLMNAKDM4ESMN1; SMN2NPC1
SCHEMBL730969 0.80 LMNA (0.59) HPGDLMNAKDM4ESMN1; SMN2NPC1
SCHEMBL24646021 0.79 ACACB (0.44) HPGDLMNAKDM5BKDM4CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed