SCHEMBL8892465

SCHEMBL8892465

CC(CO)(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
ACE P12821 1/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCKBR P32239 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL8892454 1.00 KDM4E (0.49) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3958818 0.85 KDM4E (0.47) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9338291 0.83 CCKBR (0.44) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17266480 0.82 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL7669465 0.80 ADRB3 (0.44) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11829083 0.79 MEN1 (0.55) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4659586 0.79 MEN1 (0.46) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7499509 0.79 MAPT (0.46) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8829876 0.78 CCKBR (0.68) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL8895076 0.78 KMT2A (0.51) KMT2ACCKBRTACR1

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
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed