SCHEMBL528292

SCHEMBL528292

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 6/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.42
GPR27 Q9NS67 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AVPR2 P30518 1/20 0.40

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
SCHEMBL528626 0.93 ALDH1A1 (0.46) MAPTLMNAALDH1A1HTTGAA
SCHEMBL527888 0.89 MAPT (0.45) TP53MAPTLMNAALDH1A1HTT
SCHEMBL529397 0.88 MAPT (0.57) TP53MAPTLMNAALDH1A1HTT
SCHEMBL529297 0.87 MAPT (0.59) TP53MAPTLMNAALDH1A1HTT
SCHEMBL528511 0.86 KMT2A (0.52) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL528672 0.84 SMO (0.46) TP53MAPTALDH1A1POLBGPR27
SCHEMBL529590 0.84 LMNA (0.49) MAPTLMNAALDH1A1HTTGAA
SCHEMBL528985 0.84 MAPT (0.54) TP53MAPTLMNAALDH1A1HTT
SCHEMBL527889 0.84 ALDH1A1 (0.58) TP53MAPTLMNAALDH1A1HTT
SCHEMBL528111 0.83 MAPT (0.48) TP53MAPTLMNAALDH1A1HTT

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