SCHEMBL4748426

SCHEMBL4748426

COc1ccc(CC(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
ATM Q13315 1/20 0.52
HSP90AA1 P07900 1/20 0.50
P2RX7 Q99572 2/20 0.49
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1847760 0.88 USP2 (0.70) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8984584 0.81 ERCC5 (0.60) USP2TP53ALDH1A1KMT2ANPC1
SCHEMBL6295186 0.79 USP2 (0.70) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4779632 0.79 SMN1; SMN2 (0.62) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16162267 0.77 TP53 (0.67) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1849729 0.77 RAB9A (0.62) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL485122 0.75 HSP90AA1 (0.71) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17952713 0.75 RAB9A (0.59) USP2TP53ALDH1A1KMT2ANPC1
SCHEMBL1848693 0.74 SMN1; SMN2 (0.65) USP2TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL580634 0.73 USP2 (0.71) USP2TP53SMN1; SMN2ALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed