SCHEMBL8174992

SCHEMBL8174992

COC(=O)CC(NC(=O)c1cccnc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 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
SCHEMBL7876448 0.86 POLB (0.58) LMNASMN1; SMN2MEN1KMT2AROCK2
SCHEMBL5700880 0.83 MEN1 (0.48) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7872607 0.83 TAS1R3 (0.53) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL5700886 0.83 MEN1 (0.48) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7867559 0.81 ITGB3 (0.49) LMNASMN1; SMN2KMT2AROCK2ROCK1
SCHEMBL7876199 0.80 HPGD (0.52) MAPK1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL7867657 0.78 SETD7 (0.59) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7876188 0.77 POLB (0.58) MAPK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7872598 0.76 TNF (0.55) MAPK1LMNAMEN1KMT2AHTT
SCHEMBL16495788 0.76 ROCK2 (0.58) MAPK1ROCK2ROCK1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046221-A USEFUL FOR REDUCING LEVELS OF TUMOR NECROSIS FACTOR-ALPHA IN A MAMMAL CELGENE CORPORATION (US) 2000-04-04 US disclosed
US-5801195-A TUMOR NECROSIS AGENT INHIBITORS FOR COMBATING CACHEXIA, ENDOTOXIC SHOCK AND RETROVIRUS REPLICATION CELGENE CORPORATION (US) 1998-09-01 US disclosed
US-5736570-A ADMINISTERING TO REDUCE TUMOR NECROSIS FACTOR (TNFA) LEVELS IN MAMMAL; RETROVIRAL DISEASE TREATMENT/PROPHYLAXIS CELGENE CORPORATION (US) 1998-04-07 US disclosed