SCHEMBL8918351

SCHEMBL8918351

S=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.65
NAMPT P43490 3/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 9/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 4/20 0.53
QPCT Q16769 4/20 0.52
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL8915350 1.00 IKBKB (0.65) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL8915349 0.91 SMN1; SMN2 (0.57) IKBKBNAMPTCYP3A4CYP2D6CYP2C9
SCHEMBL8918785 0.88 QPCT (0.58) IKBKBSMN1; SMN2LMNAALDH1A1QPCT
SCHEMBL8052257 0.87 L3MBTL1 (0.56) IKBKBSMN1; SMN2LMNAALDH1A1QPCT
SCHEMBL8916068 0.87 L3MBTL1 (0.56) IKBKBSMN1; SMN2LMNAALDH1A1QPCT
SCHEMBL8917236 0.87 L3MBTL1 (0.56) IKBKBSMN1; SMN2LMNAALDH1A1QPCT
SCHEMBL8916496 0.87 L3MBTL1 (0.56) IKBKBSMN1; SMN2LMNAALDH1A1QPCT
SCHEMBL8916892 0.87 L3MBTL1 (0.56) IKBKBSMN1; SMN2LMNAALDH1A1QPCT
SCHEMBL16286371 0.86 NAMPT (0.54) IKBKBNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL8915664 0.86 L3MBTL1 (0.58) SMN1; SMN2LMNAALDH1A1QPCTKMT2A

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
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed