SCHEMBL2357751

SCHEMBL2357751

CC1(C)OB(c2cccc(NC(=O)Cc3ccccc3)c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
USP2 O75604 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
EPHX2 P34913 1/20 0.54
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 4/20 0.50
CFD P00746 1/20 0.50
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
PKM P14618 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CCR6 P51684 1/20 0.48

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
SCHEMBL6862380 0.86 EPHX2 (0.58) ALDH1A1SMN1; SMN2EPHX2KMT2AMAPT
SCHEMBL257808 0.86 EPHX2 (0.58) ALDH1A1SMN1; SMN2EPHX2KMT2AMAPT
SCHEMBL3264202 0.84 GAA (0.56) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL12351159 0.84 ALDH1A1 (0.48) ALDH1A1USP2SMN1; SMN2EPHX2KMT2A
SCHEMBL18343188 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL424884 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL5675377 0.83 PDGFRB (0.58) SMN1; SMN2EPHX2KMT2ALMNAMAPT
SCHEMBL7139795 0.83 CA1 (0.48) KMT2AMEN1POLBLPLLIPG
SCHEMBL2355851 0.82 SMN1; SMN2 (0.47) SMN1; SMN2EPHX2KMT2ANPC1RAB9A
SCHEMBL12350704 0.81 KCNK3 (0.58) KMT2AMEN1HPGDNPC1RAB9A

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-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed