SCHEMBL7861641

SCHEMBL7861641

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 5/20 0.33
PADI4 Q9UM07 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
BRCA1 P38398 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
GAA P10253 1/20 0.32

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 0.89 MEN1 (0.42) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7865102 0.87 MEN1 (0.38) POLBMEN1KMT2ALMNATP53
SCHEMBL7862448 0.84 KMT2A (0.38) POLBMEN1KMT2APADI4LMNA
SCHEMBL7861633 0.78 KDM4E (0.37) PADI4MAPTCYP3A4KDM4ENPC1
SCHEMBL7862451 0.75 TSHR (0.38) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7750180 0.74 MEN1 (0.45) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7559771 0.74 MEN1 (0.50) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL321543 0.74 MEN1 (0.45) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL1830325 0.73 MEN1 (0.44) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL5785897 0.73 MEN1 (0.44) TSHRPOLBMEN1KMT2AALDH1A1

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