SCHEMBL7229502

SCHEMBL7229502

CC(=O)OCCNc1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
RECQL P46063 1/20 0.45
PTGER4 P35408 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL28523832 0.85 LMNA (0.44) KDM4EPTGER4TDP1SMN1; SMN2HDAC3
SCHEMBL28772834 0.82 MAPT (0.58) KDM4ERECQLTDP1THRBSMN1; SMN2
SCHEMBL5954193 0.81 POLB (0.48) KDM4ERECQLTDP1THRBSMN1; SMN2
SCHEMBL10993444 0.81 KDM4E (0.45) KDM4ERECQLTDP1THRBSMN1; SMN2
SCHEMBL27776939 0.79 KDM4E (0.39) KDM4ERECQLPTGER4TDP1THRB
SCHEMBL6513522 0.78 KDM4E (0.68) KDM4ESMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6382404 0.78 KDM4E (0.48) KDM4ERECQLTDP1THRBSMN1; SMN2
SCHEMBL6565047 0.78 KDM4E (0.43) KDM4ERECQLTDP1THRBSMN1; SMN2
SCHEMBL742957 0.78 PTGER4 (0.54) KDM4ERECQLPTGER4TDP1THRB
SCHEMBL7366151 0.77 CA12 (0.62) RECQLHDAC3HDAC1HDAC2HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506738-B1 Treatment of viral infections. More particularly, the invention provides benzimidazolone derivatives for the treatment of respiratory syncytial virus infection. BRISTOL-MYERS SQUIBB COMPANY 2003-01-14 US disclosed
WO-2002026228-A1 BENZIMIDAZOLONE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-04 WO disclosed