SCHEMBL528022

SCHEMBL528022

Cc1ccc(N(Cc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KCNH2 Q12809 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL529590 0.94 LMNA (0.49) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL529348 0.89 SMN1; SMN2 (0.51) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528658 0.89 ALDH1A1 (0.53) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528938 0.89 ALDH1A1 (0.59) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528307 0.87 KMT2A (0.63) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528626 0.85 ALDH1A1 (0.46) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528344 0.84 MAPT (0.56) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528550 0.84 ALDH1A1 (0.55) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL528301 0.83 MAPT (0.48) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL528200 0.83 ALDH1A1 (0.55) LMNAALDH1A1POLBMEN1KMT2A

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