SCHEMBL6624129

SCHEMBL6624129

NC1C=Cc2ccccc2C1=S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
PTPRC P08575 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PTPN1 P18031 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL11229164 0.71 KDM4E (0.34) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL9118319 0.71 KMT2A (0.34) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL29732957 0.69 HTR2A (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL22321060 0.69 HTR2A (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL29415503 0.69 HTR2A (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL2404712 0.69 HTR2A (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7782767 0.67 HTR2A (0.34) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL28838886 0.64 HTR2A (0.42) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL29625958 0.62 LMNA (0.46) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL10603356 0.62 HTR6 (0.34) KDM4EMEN1ALDH1A1LMNABCHE

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-0831094-B1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES EISAI CO LTD (JP) 2004-12-08 EP disclosed
US-5952335-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1999-09-14 US disclosed
EP-0831094-A1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES Eisai Co., Ltd. (JP) 1998-03-25 EP disclosed