SCHEMBL3205637

SCHEMBL3205637

IC1=Cc2ccccc2C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
HTR2B P41595 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL29213168 0.75 LMNA (0.34) LMNACYP1A2CYP3A4MAPK1TP53
SCHEMBL15661815 0.75 HDAC4 (0.38) LMNACYP1A2CYP3A4MAPK1TP53
SCHEMBL6673270 0.75 GAA (0.35) LMNACYP1A2CYP3A4MAPK1TP53
SCHEMBL7191962 0.73 LMNA (0.33) LMNACYP1A2CYP3A4MAPK1TP53
Hydrochloric Acid SCHEMBL29281384 0.73 LMNA (0.34) LMNACYP1A2CYP3A4MAPK1TP53
Hydrochloric Acid SCHEMBL6129919 0.73 LMNA (0.34) LMNACYP1A2CYP3A4MAPK1TP53
SCHEMBL1387828 0.73 CFTR (0.38) LMNACYP1A2CYP3A4MAPK1TP53
SCHEMBL29115214 0.72 ALDH1A1 (0.33) LMNACYP1A2CYP3A4MAPK1TP53
Fluoride Ion SCHEMBL1130163 0.72 LMNA (0.32) LMNACYP1A2CYP3A4MAPK1TP53
SCHEMBL6912880 0.71 LMNA (0.35) LMNACYP1A2CYP3A4MAPK1TP53

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed