SCHEMBL7879957

SCHEMBL7879957

Cc1ccc2[nH]c(C(=O)N(C)C(=N)N)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.57
FLT3 P36888 3/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AKR1C3 P42330 1/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
AR P10275 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
Hydrochloric Acid SCHEMBL7877617 0.99 PIN1 (0.56) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL7882071 0.89 FLT3 (0.49) PIN1FLT3PDGFRBPDGFRARAB9A
Hydrochloric Acid SCHEMBL7880745 0.88 FLT3 (0.48) PIN1FLT3PDGFRBPDGFRARAB9A
SCHEMBL7873274 0.86 FLT3 (0.56) FLT3PDGFRBPDGFRAHRH4ITGB3
SCHEMBL7878272 0.86 HRH4 (0.49) PIN1FLT3PDGFRBPDGFRAAR
SCHEMBL7877877 0.85 HRH4 (0.61) FLT3RAB9ANPC1HRH4MEN1
Hydrochloric Acid SCHEMBL7881762 0.85 HRH4 (0.48) PIN1FLT3PDGFRBPDGFRAAR
Hydrochloric Acid SCHEMBL7877523 0.85 FLT3 (0.55) FLT3PDGFRBPDGFRAHRH4ITGB3
Hydrochloric Acid SCHEMBL7873360 0.84 HRH4 (0.60) FLT3RAB9ANPC1HRH4MEN1
Hydrochloric Acid SCHEMBL7877844 0.84 ATM (0.56) FLT3KDM4EALDH1A1HPGDHSD17B10

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 5 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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed