SCHEMBL9759889

SCHEMBL9759889

Nc1ccc(C(=O)N2CCOCC2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NTRK1 P04629 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL4766465 0.84 MAPT (0.61) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3093965 0.84 MAPT (0.57) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3911973 0.84 RAB9A (0.57) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3901381 0.84 KDM4E (0.49) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3095521 0.84 KDM4E (0.68) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3909813 0.84 HTT (0.54) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3400224 0.84 HPGD (0.55) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL24363913 0.84 CNR1 (0.54) KDM4EHTTMAPTTSHRSMN1; SMN2
SCHEMBL3899784 0.83 L3MBTL3 (0.54) KDM4EHTTMAPTTSHRHSP90AA1
SCHEMBL17774880 0.83 HSP90AA1 (0.57) KDM4EHTTMAPTTSHRSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034426-A Reaction of polyisocyanate, polyol and a chain extender which is also a catalyst because of a tert-amine side chain AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-07-23 US disclosed
US-4937306-A For polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-06-26 US disclosed
US-4810769-A Process of preparing polyurethanes cured with 2,6-idaminobenzoic acid derivatives and blends of the 2, 4 and 2,6 isomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-03-07 US disclosed
EP-0300366-A1 Non-fugitive aromatic diamine catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 EP disclosed
EP-0293845-A2 Polyurethanes cured with 2,6-diaminobenzoic acid derivatives and blends of the 2,4 and 2,6 isomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-12-07 EP disclosed
US-4054556-A Polyurethanes cured with derivatives of 2,4-diamino-benzoic acid E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US disclosed
US-4039514-A SUBSTITUTED 2,4-DIAMINOBENZOIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-02 US disclosed