SCHEMBL5133705

SCHEMBL5133705

Cn1ccc2ccc(N)cc21.Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
CDC7 O00311 1/20 0.49
HTR7 P34969 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.43
TLR9 Q9NR96 1/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NPBWR1 P48145 1/20 0.40
NFKB2 Q00653 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
SCHEMBL398253 0.91 HTR7 (0.51) CDC7HTR7ALDH1A1MAPTMEN1
SCHEMBL29507010 0.82 PRKCI (0.70) PRKCIALDH1A1MAPTMEN1KMT2A
SCHEMBL5718697 0.82 PRKCI (0.70) PRKCIALDH1A1MAPTMEN1KMT2A
SCHEMBL398452 0.82 PRKCI (0.70) PRKCIALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL397061 0.81 PRKCI (0.68) PRKCIALDH1A1MAPTMEN1KMT2A
SCHEMBL1098394 0.78 CYP19A1 (0.51) PRKCIHTR7ALDH1A1MAPTMEN1
SCHEMBL5718703 0.75 PRKCI (0.52) PRKCIALDH1A1MAPTMEN1KMT2A
SCHEMBL8686325 0.73 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL29936240 0.73 ALDH1A1 (0.43) HTR7ALDH1A1MAPTMEN1KMT2A
SCHEMBL26697740 0.73 ALDH1A1 (0.43) HTR7ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed