SCHEMBL7420645

SCHEMBL7420645

N#Cc1cccc(CN2CC[C@H](NCc3ccccc3[N+](=O)[O-])C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.49
FNTB P49356 10/20 0.49
PGGT1B P53609 9/20 0.49
KCNH2 Q12809 3/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.40
KCNJ1 P48048 1/20 0.40
MEN1 O00255 1/20 0.40
GSK3B P49841 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL7416484 0.86 FNTA (0.50) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420603 0.86 KCNH2 (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424679 0.85 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420641 0.84 BRD4 (0.43) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7425782 0.83 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7425748 0.81 KDM4E (0.41) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420186 0.79 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423027 0.79 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7421298 0.79 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7417103 0.79 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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