SCHEMBL9617722

SCHEMBL9617722

O=C1c2ccccc2SCC1CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.45
ACHE P22303 2/20 0.44
SIGMAR1 Q99720 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH3A1 P30838 1/20 0.41
KDM1A O60341 3/20 0.40
HTR1A P08908 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL14384890 0.84 METAP1 (0.39) METAP1ACHESIGMAR1L3MBTL1ALDH1A1
SCHEMBL27646285 0.75 SIGMAR1 (0.68) METAP1ACHESIGMAR1HTR1A
SCHEMBL9871477 0.72 ALDH1A1 (0.42) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9348168 0.71 TP53 (0.40) L3MBTL1ALDH1A1KMT2A
SCHEMBL7605648 0.71 METAP1 (0.56) METAP1ALDH1A1
SCHEMBL12123712 0.70 METAP1 (0.52) METAP1ACHESIGMAR1HTR1A
Hydrochloric Acid SCHEMBL10916080 0.70 METAP1 (0.57) METAP1ALDH1A1
SCHEMBL14384893 0.69 SIGMAR1 (0.53) METAP1ACHESIGMAR1ALDH1A1HTR1A
SCHEMBL15601791 0.68 ALDH1A1 (0.39) METAP1ACHESIGMAR1L3MBTL1ALDH1A1
SCHEMBL14385121 0.67 GAA (0.37) L3MBTL1ALDH1A1CA1CA2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4059725-A None JP disclosed
JP-H0459725-A ANTIALLERGIC AGENT TAISHO PHARMACEUT CO LTD 1992-02-26 JP disclosed