SCHEMBL7873541

SCHEMBL7873541

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(OCc3ccc(CN)o3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 5/20 0.36
RAB9A P51151 6/20 0.35
POLB P06746 5/20 0.35
NPC1 O15118 5/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MAPT P10636 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
RHEB Q15382 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7879720 0.92 MAPT (0.37) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL7884279 0.88 MEN1 (0.33) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7873968 0.88 KDM4E (0.31)
SCHEMBL7880027 0.85 RHEB (0.42) KMT2AMEN1RAB9ANPC1MRGPRX4
SCHEMBL7881260 0.85 MRGPRX4 (0.37) MRGPRX4RHEB
Hydrochloric Acid SCHEMBL7877841 0.85 RHEB (0.41) KMT2AMEN1RAB9ANPC1MRGPRX4
SCHEMBL7880721 0.84 HDAC8 (0.37) KMT2AMEN1RAB9ANPC1MRGPRX4
SCHEMBL7873278 0.84 MEN1 (0.39) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL8975381 0.83 TOP2A (0.36) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7873387 0.83 MRGPRX4 (0.44) RAB9ANPC1MRGPRX4MAPTSMN1; SMN2

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