SCHEMBL5794656

SCHEMBL5794656

Cc1c(Cl)cccc1N(C)C(=O)SCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.38
AKR1B1 P15121 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
MT-CO2 P00403 1/20 0.35

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
SCHEMBL5794395 0.87 RXRA (0.40) RXRARXRBRXRGKDM4EMEN1
SCHEMBL2089203 0.78 MEN1 (0.46) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL5794771 0.75 FSCN1 (0.43) KDM4EALDH1A1LMNAHTTTSHR
SCHEMBL5795378 0.75 SIGMAR1 (0.53) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2089199 0.75 MAPT (0.41) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10942163 0.73 MAPT (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1027463 0.72 TDP1 (0.46) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL5797620 0.72 LMNA (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL351155 0.69 CYP1A2 (0.50) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL20120182 0.66 ALDH1A1 (0.48) KDM4EALDH1A1MAPTLMNAMEN1

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-2006037468-A1 HIV REVERSE TRANSCRIPTASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-04-13 WO disclosed