SCHEMBL8285872

SCHEMBL8285872

OC1=NCC=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
PTPRC P08575 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
RECQL P46063 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36

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
SCHEMBL19752303 0.73 GABRA1 (0.39) ALDH1A1IDO1PKMPTAFRCHRM1
SCHEMBL11415417 0.71 NISCH (0.38) KDM4ELMNAPTAFRCHRM1
Hydrochloric Acid SCHEMBL10999066 0.69 GABRA1 (0.37) ALDH1A1HPGDPTAFRTP53HTR2A
SCHEMBL1941287 0.68 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1IDO1
SCHEMBL27018073 0.67 HDAC4 (0.47) IDO1APAF1TDP2MAOAMAOB
SCHEMBL29385734 0.64 CES1 (0.45) KDM4EMEN1KMT2AALDH1A1IDO1
SCHEMBL249997 0.64 CES1 (0.45) KDM4EMEN1KMT2AALDH1A1IDO1
SCHEMBL2797733 0.63 LMNA (0.48) KDM4EMEN1KMT2AALDH1A1IDO1
SCHEMBL7214854 0.63 ALDH1A1 (0.38) KDM4EMEN1KMT2AALDH1A1IDO1
SCHEMBL6487919 0.63 CES1 (0.43) KDM4EMEN1KMT2AALDH1A1IDO1

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-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 WO disclosed