SCHEMBL11295039

SCHEMBL11295039

COC(=O)c1ccc(N(c2ccc(Cl)cc2)C2CCNC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 8/20 0.40
▸ PSEN2 P49810 8/20 0.40
▸ APH1B Q8WW43 8/20 0.40
▸ NCSTN Q92542 8/20 0.40
▸ APH1A Q96BI3 8/20 0.40
▸ PSENEN Q9NZ42 8/20 0.40
▸ FPR1 P21462 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PSD A5PKW4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11296058 0.89 MEN1 (0.47) KMT2AGAASMN1; SMN2TSHR
SCHEMBL11296532 0.89 SLC6A3 (0.40) SLC6A3KMT2AGAASMN1; SMN2KCNH2
SCHEMBL11296615 0.88 FLT1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11299441 0.86 MAPK14 (0.37) SLC6A3KMT2AGAATSHR
SCHEMBL11301393 0.80 ALOX15 (0.56) KMT2AGAASMN1; SMN2
SCHEMBL11296506 0.79 ALOX15 (0.44) TSHRHSD17B10
SCHEMBL11303328 0.76 HDAC8 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11299083 0.74 HDAC6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11298752 0.74 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11296595 0.73 HDAC6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-2665706-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 — — EP disclosed
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
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