SCHEMBL11367709

SCHEMBL11367709

CCC(CC(=O)ON1C(=O)CCC1=O)SSc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
GRM2 Q14416 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL8610607 0.87 LMNA (0.38) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL29351145 0.87 LMNA (0.38) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL321113 0.87 LMNA (0.38) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL22415048 0.83 ALDH1A1 (0.35) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL18889869 0.83 LMNA (0.33) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL28514925 0.83 LMNA (0.45) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL3696095 0.82 LMNA (0.41) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL23859815 0.82 KMT2A (0.34) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL20384698 0.80 LMNA (0.37) LMNARAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL23235917 0.80 LMNA (0.39) LMNARAB9AALDH1A1SMN1; SMN2MEN1

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-0031999-A2 Antitumor protein hybrid and process for the preparation thereof TEIJIN LIMITED (JP) 1981-07-15 EP disclosed