SCHEMBL4840767

SCHEMBL4840767

c1cc(P([N]P(c2ccncc2)c2ccncc2)c2ccncc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNA1 Q09470 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.35
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
PLG P00747 1/20 0.33
NOTUM Q6P988 1/20 0.33
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL617628 0.71 LMNA (0.47) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL4833637 0.69 ALDH1A1 (0.44) LMNAMAPTALDH1A1CYP2D6SMN1; SMN2
SCHEMBL29061582 0.67 MAPT (0.42) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL10357051 0.67
SCHEMBL7919790 0.65 MAPT (0.40) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL4840775 0.65 CTSD (0.41) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL4837271 0.65 ACHE (0.47) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL617504 0.63 CYP3A4 (0.67) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL8582109 0.61 LMNA (0.36) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL9728 0.58 MAPT (1.00) LMNAMAPTMEN1KMT2AHDAC8

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-7378537-B2 Olefin oligomerization catalysts and methods of using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-05-27 US disclosed
US-20080027188-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-31 US disclosed