SCHEMBL7413862

SCHEMBL7413862

NC[C@@H]1CCN(Cc2cccc(C=NN)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
F10 P00742 13/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PLG P00747 1/20 0.35
PROC P04070 1/20 0.35
BACE1 P56817 1/20 0.34
F2 P00734 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
BCHE P06276 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7423282 0.91 HRH2 (0.35) KCNH2F10PLGPROCF2
SCHEMBL6049829 0.85 MAPT (0.36) F10MAPTCYP2C9CYP2C19ROCK2
SCHEMBL5604353 0.81 F10 (0.38) F10PLGPROCF2
SCHEMBL9461582 0.78 HDAC1 (0.45) CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL2329902 0.77 F10 (0.35) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL8834439 0.77 F10 (0.35) F10PLGPROCF2
Trifluoroacetic Acid SCHEMBL7421271 0.77 F10 (0.35) F10PLGPROCF2
SCHEMBL27495115 0.77 L3MBTL1 (0.42) KCNH2MAPTCYP2C9CYP2C19ROCK2
Trifluoroacetic Acid SCHEMBL7418499 0.77 KCNH2 (0.35) KCNH2F10
Trifluoroacetic Acid SCHEMBL7425174 0.77 HRH2 (0.36) F10F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO claimed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed