SCHEMBL9853982

SCHEMBL9853982

O=CN1[C@@H](c2cccnc2)CSC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ BLM P54132 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHRNA7 P36544 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37

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
SCHEMBL9853989 0.86 LMNA (0.39) KDM4EALDH1A1BLMALOX15MEN1
SCHEMBL10425283 0.81 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL9740818 0.81 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL170900 0.69 KDM4E (0.56) KDM4EALDH1A1BLMALOX15MEN1
SCHEMBL9250005 0.68 ALDH1A1 (0.54) KDM4EALDH1A1BLMALOX15NPSR1
SCHEMBL9250009 0.68 ALDH1A1 (0.54) KDM4EALDH1A1BLMALOX15NPSR1
SCHEMBL8507513 0.67 MEN1 (0.41) KDM4EALDH1A1BLMALOX15MEN1
SCHEMBL27314597 0.66 ALDH1A1 (0.45) KDM4EALDH1A1TDP1CYP3A4NPSR1
SCHEMBL9854029 0.66 PTAFR (0.44) KDM4EALDH1A1BLMALOX15
SCHEMBL9853999 0.66 POLB (0.58) KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 — — EP disclosed
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