SCHEMBL8921602

SCHEMBL8921602

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
ABL1 P00519 1/20 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
SCHEMBL8920264 0.88 MEN1 (0.66) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8922901 0.84 MAPT (0.57) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL31058534 0.84 ALDH1A1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11775995 0.84 ALDH1A1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8921187 0.84 MEN1 (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8920117 0.83 MAPT (0.60) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8920196 0.81 MAPT (0.74) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8921142 0.79 MEN1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7467356 0.77 KMT2A (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8920266 0.77 GAA (0.54) MEN1KMT2AMAPTLMNAALDH1A1

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