SCHEMBL4037035

SCHEMBL4037035

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)[C@H](OC(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 2/20 0.45
MCHR1 Q99705 1/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 4/20 0.44
FABP1 P07148 1/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL4036441 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL4034926 0.86 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL1384751 0.86 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL4038572 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53TSHRGFER
SCHEMBL4034764 0.80 TSHR (0.61) ALDH1A1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL4035097 0.79 ALOX15 (0.47) ALDH1A1KMT2ASMN1; SMN2ALOX15TSHR
SCHEMBL4033204 0.79 GAA (0.50) ALDH1A1KMT2ASMN1; SMN2TP53ALOX15
SCHEMBL1381140 0.79 GAA (0.50) ALDH1A1KMT2ASMN1; SMN2TP53ALOX15
SCHEMBL1382163 0.79 GAA (0.50) ALDH1A1KMT2ASMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL4036663 0.79 ALOX15 (0.46) ALDH1A1KMT2ASMN1; SMN2ALOX15TSHR

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed