SCHEMBL6287895

SCHEMBL6287895

CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(c2ccc(NC(=O)C(C)NC(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(NC(=O)C(C)NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 4/20 0.50
STING1 Q86WV6 1/20 0.50
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 4/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL6287685 0.86 HDAC1 (0.52) HRH3L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6287783 0.86 HDAC8 (0.61) MAPTSMN1; SMN2HDAC1LMNAHTT
SCHEMBL8280156 0.85 MMP9 (0.56) L3MBTL1ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL6287655 0.84 HDAC1 (0.50) HRH3ALDH1A1MAPTSMN1; SMN2HDAC1
SCHEMBL6284142 0.84 HDAC1 (0.50) HRH3MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL6288043 0.83 HDAC8 (0.49) HRH3L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6290992 0.83 HDAC8 (0.54) HRH3MAPTSMN1; SMN2HDAC1MEN1
SCHEMBL7038483 0.83 HDAC1 (0.49) HRH3L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6291018 0.83 CTSC (0.48) HRH3L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL25802387 0.83 HRH3 (0.66) HRH3L3MBTL1ALDH1A1MAPTHDAC1

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-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed