SCHEMBL13078050

SCHEMBL13078050

COc1ccc(Cn2c(=O)c(-c3nc4ccccc4n3S(=O)(=O)C(F)(F)F)c(O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RX4 Q99571 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
TBXA2R P21731 2/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSPO P30536 1/20 0.41
KDR P35968 1/20 0.40
GABRA5 P31644 1/20 0.39
CCR2 P41597 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL13041381 0.92 TP53 (0.48) TP53HTTSMN1; SMN2KDM4ELMNA
SCHEMBL13622543 0.91 HTT (0.43) TP53HTTSMN1; SMN2KDM4ELMNA
SCHEMBL13041384 0.88 TP53 (0.45) TP53HTTSMN1; SMN2KDM4ELMNA
SCHEMBL3731793 0.76 KDM4E (0.56) TP53HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL16141009 0.73 CCR2 (0.46) LMNAALDH1A1MAPTTBXA2RKMT2A
SCHEMBL17457367 0.71 CCR2 (0.51) LMNAALDH1A1P2RX4MAPTTBXA2R
SCHEMBL3738525 0.70 TP53 (0.38) TP53HTTSMN1; SMN2KDM4ELMNA
SCHEMBL6087197 0.68 ALDH1A1 (0.73) HTTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL13178171 0.68 CCR2 (0.49) TP53LMNAALDH1A1P2RX4MAPT
SCHEMBL6086148 0.67 ALDH1A1 (0.52) HTTKDM4ELMNAALDH1A1MAPT

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed