SCHEMBL4840775

SCHEMBL4840775

c1cc(P(NP(c2ccncc2)c2ccncc2)c2ccncc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 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
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
MDM2 Q00987 1/20 0.33
NOTUM Q6P988 1/20 0.33
RAD52 P43351 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) CTSDLMNAMAPTALDH1A1CYP2D6
SCHEMBL29061582 0.67 MAPT (0.42) CTSDLMNAMAPTALDH1A1CYP2D6
SCHEMBL10357051 0.67
SCHEMBL7919790 0.65 MAPT (0.40) CTSDLMNAMAPTALDH1A1CYP2D6
SCHEMBL4837274 0.65 ACHE (0.47) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4840767 0.65 LMNA (0.40) CTSDLMNAMAPTALDH1A1CYP2D6
SCHEMBL617504 0.63 CYP3A4 (0.67) LMNAMAPTALDH1A1CYP2D6MEN1
SCHEMBL8582109 0.61 LMNA (0.36) CTSDLMNAMAPTALDH1A1CYP2D6
Propane SCHEMBL2359635 0.61 CYP3A4 (0.41) LMNAMAPTTSHRCYP3A4KDM4E
SCHEMBL9728 0.58 MAPT (1.00) CTSDLMNAMAPTALDH1A1CYP2D6

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