SCHEMBL17273752

SCHEMBL17273752

O=C(NCCc1csc(-c2ccc(F)cc2F)n1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL17273747 0.88 SMN1; SMN2 (0.54) TP53MAPTLMNAPOLBATM
SCHEMBL17273749 0.86 POLB (0.60) TP53MAPTLMNAPOLBATM
SCHEMBL17273750 0.84 MAPT (0.61) TP53MAPTLMNAPOLBSMN1; SMN2
SCHEMBL17261519 0.79 HSD17B10 (0.60) TP53MAPTLMNAPOLBATM
SCHEMBL17273814 0.79 HSD17B10 (0.60) TP53MAPTLMNAPOLBATM
SCHEMBL17273813 0.78 HSD17B10 (0.61) TP53MAPTLMNAPOLBATM
SCHEMBL3536387 0.76 HTR2C (0.57) TP53MAPTLMNASMN1; SMN2
SCHEMBL3535676 0.76 HTR2C (0.57) TP53MAPTLMNASMN1; SMN2
SCHEMBL4900754 0.74 LMNA (0.45) TP53MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4894623 0.72 LMNA (0.46) TP53MAPTLMNAPOLBSMN1; SMN2

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-2015172196-A1 HETEROCYCLIC COMPOUNDS AND USE OF SAME MONASH UNIVERSITY (AU) 2015-11-19 WO disclosed