SCHEMBL16430201

SCHEMBL16430201

CS(=O)(=O)OCCC1CN[C@@H](CC(=O)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL8508145 0.77 MAPT (0.42) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL6452853 0.73 KMT2A (0.44) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL5069466 0.73 KMT2A (0.47) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL252506 0.70 ALDH1A1 (0.51) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL6845223 0.70 ALDH1A1 (0.51) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL5071027 0.70 ALDH1A1 (0.43) KMT2AALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL14661902 0.70 NPC1 (0.40) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL7418666 0.69 HDAC3 (0.55) KMT2AMEN1L3MBTL1
SCHEMBL28041200 0.69 TDP1 (0.50) KMT2AALDH1A1MEN1CYP2C19MAPT
SCHEMBL13866308 0.69 CHRNA7 (0.46) KMT2AMEN1LMNA

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
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed