SCHEMBL528683

SCHEMBL528683

Cc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.77
LMNA P02545 6/20 0.77
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
FFAR1 O14842 1/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.49
PTGES O14684 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL529003 0.93 MAPT (0.66) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL528499 0.91 MAPT (0.63) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL528590 0.91 MAPT (0.63) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL527884 0.90 MAPT (0.74) MAPTLMNAALDH1A1KDM4ETP53
SCHEMBL529032 0.89 MAPT (0.77) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL527969 0.88 MAPT (0.60) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL529349 0.88 MAPT (0.61) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL527900 0.87 MAPT (0.60) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL528227 0.86 ALDH1A1 (0.64) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL531055 0.86 MAPT (0.71) MAPTLMNAALDH1A1KDM4EHTT

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed