SCHEMBL7865102

SCHEMBL7865102

CCCN(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
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
APLNR P35414 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM5A P29375 1/20 0.32
MAPT P10636 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 0.92 MEN1 (0.42) MEN1KMT2ATP53LMNAMAPK1
SCHEMBL7861641 0.87 TSHR (0.38) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL7862448 0.85 KMT2A (0.38) MEN1KMT2APOLBLMNAKDM4E
SCHEMBL7861688 0.82 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL7861633 0.78 KDM4E (0.37) CYP3A4KDM4ERAB9ATDP1KDM5A
SCHEMBL7862451 0.78 TSHR (0.38) MEN1KMT2ACYP1A2CYP3A4GAA
SCHEMBL321543 0.76 MEN1 (0.45) MEN1KMT2APOLBTP53LMNA
SCHEMBL7559771 0.76 MEN1 (0.50) MEN1KMT2ATP53LMNAMAPK1
SCHEMBL7750180 0.76 MEN1 (0.45) MEN1KMT2ATP53LMNAMAPK1
SCHEMBL7861387 0.76 KDM5A (0.50) MEN1KMT2AGAAPOLBLMNA

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