SCHEMBL8554202

SCHEMBL8554202

C=CCc1cc(CCCC)c2c(c1O)C(C)(C)C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PDK2 Q15119 1/20 0.33
DHFR P00374 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
CNR2 P34972 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TYR P14679 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL8598630 0.96 MEN1 (0.34) MEN1KMT2APOLBGAAKDM4E
SCHEMBL8559143 0.95 GPR84 (0.36) MEN1KMT2APOLBGAAKDM4E
SCHEMBL8556983 0.93 DHFR (0.37) MEN1KMT2APOLBGAAKDM4E
SCHEMBL8556883 0.89 PDK2 (0.40) MEN1KMT2APOLBGAAKDM4E
SCHEMBL8560875 0.81 MEN1 (0.36) MEN1KMT2APOLBGAAKDM4E
SCHEMBL8557438 0.72 PDK2 (0.42) MEN1KMT2AMAPTPDK2ELANE
SCHEMBL8556692 0.70 KDM4E (0.36) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL8555558 0.70 GABRA1 (0.42) MEN1KMT2APOLBGAAKDM4E
SCHEMBL14318839 0.70 ALOX5 (0.49) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL8559099 0.69 TYR (0.44) MEN1KMT2AMAPTPDK2ELANE

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-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed