SCHEMBL14433142

SCHEMBL14433142

COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.40
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
SPR P35270 2/20 0.39
POLB P06746 1/20 0.38
STAT3 P40763 1/20 0.38
PPARG P37231 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HSD11B1 P28845 1/20 0.37
CCR5 P51681 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK1 O14757 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36

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
SCHEMBL14432776 0.88 TP53 (0.47) ALDH1A1L3MBTL1TP53UBE2MDCUN1D1
SCHEMBL14432801 0.85 CYP1A2 (0.41) L3MBTL1TP53LMNACYP1A2STAT3
SCHEMBL13422402 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1TP53UBE2MDCUN1D1
SCHEMBL5229557 0.83 HPGD (0.46) ALDH1A1L3MBTL1TP53LMNACYP1A2
SCHEMBL6233245 0.83 SPR (0.40) ALDH1A1L3MBTL1TP53LMNACYP1A2
SCHEMBL14432861 0.81 TP53 (0.43) ALDH1A1L3MBTL1TP53UBE2MDCUN1D1
SCHEMBL14432873 0.81 PPARG (0.41) ALDH1A1L3MBTL1TP53LMNACYP1A2
SCHEMBL14432488 0.81 NAMPT (0.40) ALDH1A1L3MBTL1CYP1A2STAT3PIM1
SCHEMBL13422133 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1TP53UBE2MDCUN1D1
SCHEMBL14432804 0.81 CYP1A2 (0.43) ALDH1A1TP53LMNACYP1A2POLB

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
EP-1581528-B1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LTD (GB) 2007-08-01 EP disclosed