SCHEMBL8921142

SCHEMBL8921142

COC(=O)SCC(=O)Nc1cc(Cl)ccc1C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
ALDH1A1 P00352 8/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 2/20 0.49
CYP1A2 P05177 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 5/20 0.49
CYP3A4 P08684 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
ABL1 P00519 1/20 0.48
HPGD P15428 4/20 0.47

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
SCHEMBL7464154 0.84 L3MBTL1 (0.56) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL7464454 0.84 L3MBTL1 (0.73) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL8920264 0.83 MEN1 (0.66) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL7463414 0.83 L3MBTL1 (0.60) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL7461852 0.83 L3MBTL1 (0.70) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL7467356 0.82 KMT2A (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7459655 0.82 ALDH1A1 (0.58) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL4735039 0.82 L3MBTL1 (0.56) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL7459336 0.81 PRMT5 (0.56) MEN1KMT2AMAPTLMNAPRMT5
SCHEMBL7468316 0.81 L3MBTL1 (0.55) MEN1KMT2AMAPTLMNAPRMT5

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
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 EP disclosed