SCHEMBL1684209

SCHEMBL1684209

CON(Cc1ccc(F)cc1)C(=O)c1cc2c(S(=O)(=O)N3CCOCC3)c[nH]c2cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
APAF1 O14727 1/20 0.38
ATM Q13315 1/20 0.38
UBE2N P61088 1/20 0.38
TDO2 P48775 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3231481 0.70 TDO2 (0.58) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL4180431 0.70 MAPT (0.45) L3MBTL1ALDH1A1HPGDKDM4ELMNA
SCHEMBL4166906 0.67 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNAKMT2AMAPT
SCHEMBL7382934 0.59 GABRA1 (0.58) L3MBTL1ALDH1A1GAAHPGDKDM4E
SCHEMBL1150847 0.59 TSHR (0.75) L3MBTL1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL25204733 0.59 CNR1 (0.47) ALDH1A1KMT2AMEN1TDO2
SCHEMBL1150574 0.59 KMT2A (0.48) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL5623489 0.59 LMNA (0.61) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL18425634 0.59 HDAC1 (0.56) ALDH1A1GAAHPGDLMNACRHBP
SCHEMBL14697087 0.58 USP2 (0.66) L3MBTL1ALDH1A1KDM4ELMNAKMT2A

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
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed