SCHEMBL7522803

SCHEMBL7522803

NNC(=O)[C@H](Cc1ccccc1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.41
MC4R P32245 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6919388 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6919396 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL8008397 0.74 MMP2 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6048516 0.72 KMT2A (0.58) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL27448293 0.71 CRHBP (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6808091 0.70 MEN1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6808095 0.70 MEN1 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28532343 0.69 ALDH1A1 (0.60) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL27448742 0.69 ALDH1A1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21800147 0.69 CRHBP (0.55) MEN1KMT2AALDH1A1SMN1; SMN2OPRM1

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
JP-2002542304-A 2002-12-10 JP claimed
EP-1176985-A2 ENZYMATICALLY ACTIVATED POLYMERIC DRUG CONJUGATES Vectramed, Inc. (US) 2002-02-06 EP claimed
WO-2000064486-A2 ENZYMATICALLY ACTIVATED POLYMERIC DRUG CONJUGATES VECTRAMED, INC. (US) 2000-11-02 WO claimed