SCHEMBL7442506

SCHEMBL7442506

N=C(N)NCc1cc(CNC(=N)N)cc(CNC(=N)N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC11A2 P49281 1/20 0.35
▸ NOS1 P29475 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ GRIN2D O15399 4/20 0.32
▸ GRIN3B O60391 4/20 0.32
▸ GRIN1 Q05586 4/20 0.32
▸ GRIN2A Q12879 4/20 0.32
▸ GRIN2B Q13224 4/20 0.32
▸ GRIN2C Q14957 4/20 0.32
▸ GRIN3A Q8TCU5 4/20 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
SCHEMBL8180131 0.84 METAP2 (0.40) CA12CA1CA9
SCHEMBL3672272 0.84 CYP2C9 (0.48) NOS1ALDH1A1MAPTALOX12CYP2C9
SCHEMBL10890947 0.81 CA1 (0.31) CA1CA2CA9
SCHEMBL20804279 0.81 HDAC1 (0.36) MAPT
SCHEMBL207271 0.80 PRSS1 (0.37) F2PRSS1PRSS2PRSS3ST14
SCHEMBL2717977 0.80 PRSS1 (0.55) SLC11A2NOS1LMNAALDH1A1CYP2D6
SCHEMBL31540904 0.80 LOXL2 (0.55) SLC11A2NOS1LMNAALDH1A1CYP2D6
SCHEMBL14470339 0.80 ALDH1A1 (0.46) SLC11A2NOS1LMNAALDH1A1CYP2D6
SCHEMBL16089570 0.80 HDAC1 (0.35) SLC11A2LMNA
SCHEMBL16041872 0.80 IGF1R (0.30) —

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-6063819-A PROTECTING NEURONS FROM DAMAGE BY ADMINISTERING TO HUMANS POLYGUADINO COMPOUNDS CYPROS PHARMACEUTICAL CORP. (US) 2000-05-16 — — US disclosed
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