SCHEMBL7881815

SCHEMBL7881815

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3cc([N+](=O)[O-])ccn3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.33
LGALS3 P17931 1/20 0.33
KMT2A Q03164 6/20 0.32
MEN1 O00255 5/20 0.32
PKM P14618 2/20 0.32
GAA P10253 2/20 0.32
ERBB2 P04626 1/20 0.32
PTK6 Q13882 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
GPR35 Q9HC97 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL7879751 0.88 RHEB (0.32) KMT2AMEN1ERBB2PTK6RAB9A
SCHEMBL7877718 0.87 RHEB (0.32)
SCHEMBL7877951 0.86 HRH4 (0.37) LGALS8LGALS3KMT2AMEN1ERBB2
SCHEMBL7879700 0.86 LGALS8 (0.42) LGALS8LGALS3KMT2AMEN1PKM
SCHEMBL7878083 0.85 RAF1 (0.34) LGALS8LGALS3KMT2AMEN1ERBB2
SCHEMBL7884783 0.85 KMT2A (0.40) LGALS8LGALS3KMT2AMEN1GAA
SCHEMBL7873382 0.84 LOXL2 (0.42)
SCHEMBL7877766 0.84 DHODH (0.36) LGALS8KMT2AMEN1RAB9ANPC1
SCHEMBL7878234 0.83 SIRT2 (0.35) LGALS8LGALS3KMT2AMEN1MAPT
SCHEMBL7873476 0.83 LMNA (0.35) KMT2AMEN1PKMGAAMAPT

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
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed