SCHEMBL18801075

SCHEMBL18801075

O=C(O)c1c(CSc2ccccc2)ccc(-c2ccoc2)c1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
METAP2 P50579 3/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX3 P56373 1/20 0.32
SLC37A4 O43826 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
FFAR1 O14842 1/20 0.31
NAT1 P18440 2/20 0.31
PPARG P37231 2/20 0.31
HPGD P15428 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 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
SCHEMBL18801115 0.92 KMT2A (0.39) KMT2AMETAP2MAPTHTTL3MBTL1
SCHEMBL18801122 0.92 KMT2A (0.39) KMT2AMETAP2MAPTHTTL3MBTL1
SCHEMBL18801413 0.89 KDM4E (0.37) KMT2AMETAP2MAPTHTTALDH1A1
SCHEMBL18801173 0.88 ALDH1A1 (0.41) KMT2AMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL18801148 0.88 KMT2A (0.39) KMT2AMETAP2MAPTHTTL3MBTL1
SCHEMBL1649341 0.87 METAP2 (0.47) KMT2AMETAP2L3MBTL1SLC37A4ALDH1A1
SCHEMBL18801052 0.85 KMT2A (0.37) KMT2AMETAP2SLC37A4MEN1POLB
SCHEMBL18801357 0.84 CYP1A1 (0.39) KMT2AMETAP2HTTALDH1A1MEN1
SCHEMBL18801102 0.83 PDK2 (0.38) KMT2AMETAP2PPARGPPARA
SCHEMBL18801117 0.81 KMT2A (0.44) KMT2AMETAP2MAPTHTTL3MBTL1

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-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed