SCHEMBL7862451

SCHEMBL7862451

CCN(C(=O)c1c(O)c2c(C)c(C=S)ccc2[nH]c1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM5A P29375 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7860205 0.86 MEN1 (0.42) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL2485564 0.82 MEN1 (0.45) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL1830325 0.81 MEN1 (0.44) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL5785897 0.81 MEN1 (0.44) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL321543 0.80 MEN1 (0.45) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL7559771 0.80 MEN1 (0.50) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL7750180 0.80 MEN1 (0.45) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL7556725 0.78 KMT2A (0.43) TSHRMEN1KMT2AALDH1A1GLA
SCHEMBL7865102 0.78 MEN1 (0.38) MEN1KMT2ATP53KDM5ACYP1A2
SCHEMBL18751640 0.78 TP53 (0.51) TSHRMEN1KMT2AALDH1A1GLA

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
EP-1097139-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-09 EP disclosed
WO-2000003992-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed